(E)-N-[(5Z)-8-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)-6-methyloct-5-en-2-ylidene]hydroxylamine

• ChemBase ID: 181655
• Molecular Formular: C23H39NO
• Molecular Mass: 345.56186
• Monoisotopic Mass: 345.30316487
• SMILES: C12(C(C(CCC2)(C)C)CCC(=C)C1CC/C(=C\CC/C(=N/O)/C)/C)C
• Canonical SMILES: O/N=C(/CC/C=C(\CCC1C(=C)CCC2C1(C)CCCC2(C)C)/C)\C
• InChI: InChI=1S/C23H39NO/c1-17(9-7-10-19(3)24-25)11-13-20-18(2)12-14-21-22(4,5)15-8-16-23(20,21)6/h9,20-21,25H,2,7-8,10-16H2,1,3-6H3/b17-9-,24-19+
• InChIKey: GKFSDTRKPOZJAE-IKPFQDODSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[(5Z)-8-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)-6-methyloct-5-en-2-ylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[(5Z)-8-(5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)-6-methyloct-5-en-2-ylidene]hydroxylamine

Database IDs

• PubChem SID: 164237565
• PubChem CID: 16395252

CALCULATED PROPERTIES

• Acid pKa: 11.22578
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.3476233
• LogD (pH = 7.4): 6.348011
• Log P: 6.3480825
• Molar Refractivity: 108.5193 cm^3
• Polarizability: 42.619854 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds