1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol

C19H36O — CID 115789478

IUPAC1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1CC2CC2C1
InChIInChI=1S/C19H36O/c1-2-3-4-5-6-7-8-9-10-11-12-19(20)18-14-16-13-17(16)15-18/h16-20H,2-15H2,1H3
InChIKeyLNACWNZTQGHMEU-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.70
Rot. Bonds12

About 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol

1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol (PubChem CID 115789478) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol
PubChem CID115789478
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1CC2CC2C1
InChIInChI=1S/C19H36O/c1-2-3-4-5-6-7-8-9-10-11-12-19(20)18-14-16-13-17(16)15-18/h16-20H,2-15H2,1H3
InChIKeyLNACWNZTQGHMEU-UHFFFAOYSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.70
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

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CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-piperidin-4-ylundecan-1-ol
CID 80560155
1-cyclooctylundecan-1-ol
CID 80603651
1-(2-adamantyl)hexan-1-ol
CID 115784330
1-(5-methyloxolan-3-yl)nonan-1-ol
CID 115783996
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
1-cyclopropylpentan-1-ol
CID 551238
1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
CID 115789193
1-(4-tert-butylcyclohexyl)heptan-1-ol
CID 65400919

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol (CID 115789478) is 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol is CCCCCCCCCCCCC(O)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol?
The InChIKey is LNACWNZTQGHMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-2-3-4-5-6-7-8-9-10-11-12-19(20)18-14-16-13-17(16)15-18/h16-20H,2-15H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol?
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol has a molecular weight of 280.50 g/mol, XLogP of 5.70, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol is sourced from PubChem (CID 115789478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).