(2R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl chloroformate

• ChemBase ID: 286906
• Molecular Formular: C28H45ClO2
• Molecular Mass: 449.1087
• Monoisotopic Mass: 448.31080836
• SMILES: O=C(Cl)OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CCC4C3CC=C2C1
• Canonical SMILES: CC(CCC[C@H]([C@H]1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)Cl)C)C
• InChI: InChI=1S/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21?,22?,23-,24?,25?,27+,28-/m1/s1
• InChIKey: QNEPTKZEXBPDLF-AWEQCRHCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-5-yl chloroformate
• IUPAC Traditional name: (2R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-5-yl chloroformate
• Synonyms: Cholesteryl chloroformate

Database IDs

• CAS Number: 7144-08-3
• MDL Number: MFCD00003633
• PubChem SID: 180672437
• PubChem CID: 54236888

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.560741
• LogD (pH = 7.4): 8.560741
• Log P: 8.560741
• Molar Refractivity: 130.481 cm^3
• Polarizability: 51.776188 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%