cyclohexyl-(4-pentylcyclohexyl)methanol

C18H34O — CID 141212039

IUPACcyclohexyl-(4-pentylcyclohexyl)methanol
SMILESCCCCCC1CCC(C(O)C2CCCCC2)CC1
InChIInChI=1S/C18H34O/c1-2-3-5-8-15-11-13-17(14-12-15)18(19)16-9-6-4-7-10-16/h15-19H,2-14H2,1H3
InChIKeyCHVCHCKNILTKSQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.31
Rot. Bonds6

About cyclohexyl-(4-pentylcyclohexyl)methanol

cyclohexyl-(4-pentylcyclohexyl)methanol (PubChem CID 141212039) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is cyclohexyl-(4-pentylcyclohexyl)methanol.

Molecular Properties

Compound Namecyclohexyl-(4-pentylcyclohexyl)methanol
PubChem CID141212039
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Namecyclohexyl-(4-pentylcyclohexyl)methanol
SMILESCCCCCC1CCC(C(O)C2CCCCC2)CC1
InChIInChI=1S/C18H34O/c1-2-3-5-8-15-11-13-17(14-12-15)18(19)16-9-6-4-7-10-16/h15-19H,2-14H2,1H3
InChIKeyCHVCHCKNILTKSQ-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927
(4-butylcyclohexyl)-(oxan-4-yl)methanol
CID 115797729
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
hexane;pentylcyclopropane
CID 159592467
2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol
CID 139741189
azane;heptylcyclohexane
CID 121434222
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-pentylcyclohexyl)methanol?
The IUPAC name of cyclohexyl-(4-pentylcyclohexyl)methanol (CID 141212039) is cyclohexyl-(4-pentylcyclohexyl)methanol.
What is the SMILES notation for cyclohexyl-(4-pentylcyclohexyl)methanol?
The canonical SMILES for cyclohexyl-(4-pentylcyclohexyl)methanol is CCCCCC1CCC(C(O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-(4-pentylcyclohexyl)methanol?
The InChIKey is CHVCHCKNILTKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-2-3-5-8-15-11-13-17(14-12-15)18(19)16-9-6-4-7-10-16/h15-19H,2-14H2,1H3.
What are the key properties of cyclohexyl-(4-pentylcyclohexyl)methanol?
cyclohexyl-(4-pentylcyclohexyl)methanol has a molecular weight of 266.47 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-pentylcyclohexyl)methanol is sourced from PubChem (CID 141212039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).