1-(4-tert-butylcyclohexyl)heptan-1-ol

C17H34O — CID 65400919

IUPAC1-(4-tert-butylcyclohexyl)heptan-1-ol
SMILESCCCCCCC(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34O/c1-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyJFVCNXTUKINXSG-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.17
Rot. Bonds6

About 1-(4-tert-butylcyclohexyl)heptan-1-ol

1-(4-tert-butylcyclohexyl)heptan-1-ol (PubChem CID 65400919) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)heptan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)heptan-1-ol
PubChem CID65400919
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name1-(4-tert-butylcyclohexyl)heptan-1-ol
SMILESCCCCCCC(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34O/c1-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyJFVCNXTUKINXSG-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.17
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

1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-cyclopropylpentan-1-ol
CID 551238
1-cyclooctylundecan-1-ol
CID 80603651
1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
CID 65414527
1-piperidin-4-ylundecan-1-ol
CID 80560155
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
CID 65401121
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
CID 83051969
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol
CID 115789478
ethyl 4-(4-tert-butylcyclohexyl)-4-hydroxybutanoate
CID 104575831

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)heptan-1-ol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)heptan-1-ol (CID 65400919) is 1-(4-tert-butylcyclohexyl)heptan-1-ol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)heptan-1-ol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)heptan-1-ol is CCCCCCC(O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)heptan-1-ol?
The InChIKey is JFVCNXTUKINXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(2,3)4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)heptan-1-ol?
1-(4-tert-butylcyclohexyl)heptan-1-ol has a molecular weight of 254.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)heptan-1-ol is sourced from PubChem (CID 65400919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).