2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol

C30H54O — CID 59931224

IUPAC2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
SMILESCC1CCC(CC2CCC(CC3CCC(CC4CCC(CCO)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H54O/c1-23-2-4-25(5-3-23)20-27-10-12-29(13-11-27)22-30-16-14-28(15-17-30)21-26-8-6-24(7-9-26)18-19-31/h23-31H,2-22H2,1H3
InChIKeyPVXCJYGOANQWQA-UHFFFAOYSA-N
MW430.76 g/mol
LogP8.78
Rot. Bonds8

About 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol

2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol (PubChem CID 59931224) has the molecular formula C30H54O and a molecular weight of 430.76 g/mol. Its IUPAC name is 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
PubChem CID59931224
Molecular FormulaC30H54O
Molecular Weight430.76 g/mol
Exact Mass430.42
IUPAC Name2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
SMILESCC1CCC(CC2CCC(CC3CCC(CC4CCC(CCO)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H54O/c1-23-2-4-25(5-3-23)20-27-10-12-29(13-11-27)22-30-16-14-28(15-17-30)21-26-8-6-24(7-9-26)18-19-31/h23-31H,2-22H2,1H3
InChIKeyPVXCJYGOANQWQA-UHFFFAOYSA-N
XLogP8.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol with MolForge

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Related Compounds

2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
2-(4-butylcyclohexyl)ethanol
CID 15085164
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione
CID 59938766
2-[5-[2-(4-methylcyclohexyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanol
CID 142914627
2-(3-methylcyclobutyl)ethanol
CID 59157244
ethane;(4-methylcyclohexyl)methanol
CID 142233866
1-methyl-4-propylcycloheptane
CID 90967653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol?
The IUPAC name of 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol (CID 59931224) is 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol is CC1CCC(CC2CCC(CC3CCC(CC4CCC(CCO)CC4)CC3)CC2)CC1.
What is the InChIKey of 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol?
The InChIKey is PVXCJYGOANQWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O/c1-23-2-4-25(5-3-23)20-27-10-12-29(13-11-27)22-30-16-14-28(15-17-30)21-26-8-6-24(7-9-26)18-19-31/h23-31H,2-22H2,1H3.
What are the key properties of 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol?
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol has a molecular weight of 430.76 g/mol, XLogP of 8.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol is sourced from PubChem (CID 59931224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).