(2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane

C27H54 — CID 142386788

IUPAC(2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane
SMILESCC.CC(CCC1CCC(C)[C@H](C)C1)CC[C@H](C)CCC1CCCCC1C
InChIInChI=1S/C25H48.C2H6/c1-19(12-15-24-16-14-21(3)23(5)18-24)10-11-20(2)13-17-25-9-7-6-8-22(25)4;1-2/h19-25H,6-18H2,1-5H3;1-2H3/t19?,20-,21?,22?,23+,24?,25?;/m0./s1
InChIKeyFZHBWDUJMJHBBY-YDAOCIKCSA-N
MW378.73 g/mol
LogP9.52
Rot. Bonds9

About (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane

(2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane (PubChem CID 142386788) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane.

Molecular Properties

Compound Name(2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane
PubChem CID142386788
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name(2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane
SMILESCC.CC(CCC1CCC(C)[C@H](C)C1)CC[C@H](C)CCC1CCCCC1C
InChIInChI=1S/C25H48.C2H6/c1-19(12-15-24-16-14-21(3)23(5)18-24)10-11-20(2)13-17-25-9-7-6-8-22(25)4;1-2/h19-25H,6-18H2,1-5H3;1-2H3/t19?,20-,21?,22?,23+,24?,25?;/m0./s1
InChIKeyFZHBWDUJMJHBBY-YDAOCIKCSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane with MolForge

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Related Compounds

4-(3-bromobutyl)-1,2-dimethylcyclohexane
CID 64738699
1-(3,7-dimethylnonyl)-2-methylcyclopentane
CID 123956803
4-(2-methylcyclohexyl)butan-2-ol
CID 131147117
1-methyl-2-(5-methylheptyl)cycloheptane
CID 123996551
ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 153331716
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
4-[8,8-bis[9-(3,4-dimethylcyclohexyl)nonyl]-17-(3-ethyl-4-methylcyclohexyl)heptadecyl]-1,2-dimethylcycloheptane
CID 144902298
2-(2-methylcyclopentyl)ethylcyclohexane
CID 134865391
2-ethyl-1-methyl-4-propylcyclodecane
CID 123259333
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
ethene;1-methyl-2-(3-methylpentyl)cyclopropane
CID 143221228
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane?
The IUPAC name of (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane (CID 142386788) is (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane.
What is the SMILES notation for (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane?
The canonical SMILES for (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane is CC.CC(CCC1CCC(C)[C@H](C)C1)CC[C@H](C)CCC1CCCCC1C.
What is the InChIKey of (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane?
The InChIKey is FZHBWDUJMJHBBY-YDAOCIKCSA-N. The full InChI is InChI=1S/C25H48.C2H6/c1-19(12-15-24-16-14-21(3)23(5)18-24)10-11-20(2)13-17-25-9-7-6-8-22(25)4;1-2/h19-25H,6-18H2,1-5H3;1-2H3/t19?,20-,21?,22?,23+,24?,25?;/m0./s1.
What are the key properties of (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane?
(2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane has a molecular weight of 378.73 g/mol, XLogP of 9.52, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(6S)-3,6-dimethyl-8-(2-methylcyclohexyl)octyl]-1,2-dimethylcyclohexane;ethane is sourced from PubChem (CID 142386788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).