1-pentylbicyclo[3.1.0]hexan-2-ol

C11H20O — CID 69469372

IUPAC1-pentylbicyclo[3.1.0]hexan-2-ol
SMILESCCCCCC12CC1CCC2O
InChIInChI=1S/C11H20O/c1-2-3-4-7-11-8-9(11)5-6-10(11)12/h9-10,12H,2-8H2,1H3
InChIKeyMCQLRXZBGXRBMA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.73
Rot. Bonds4

About 1-pentylbicyclo[3.1.0]hexan-2-ol

1-pentylbicyclo[3.1.0]hexan-2-ol (PubChem CID 69469372) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-pentylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name1-pentylbicyclo[3.1.0]hexan-2-ol
PubChem CID69469372
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-pentylbicyclo[3.1.0]hexan-2-ol
SMILESCCCCCC12CC1CCC2O
InChIInChI=1S/C11H20O/c1-2-3-4-7-11-8-9(11)5-6-10(11)12/h9-10,12H,2-8H2,1H3
InChIKeyMCQLRXZBGXRBMA-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.73
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

cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
4,4-dibutylcyclohexan-1-ol
CID 154113333
2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 55185786
(1S,2S,4R)-1,7,7-trimethyl-2-pentylbicyclo[2.2.1]heptan-2-ol
CID 174767686
(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol
CID 100968661
(1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 11185565
3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65145844
3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 171964257
2,2-dimethylbicyclo[2.2.1]heptane;2-methyl-2-pentylbicyclo[2.2.1]heptane
CID 91122013
2-butyl-2-ethylcyclohexane-1,3-diol
CID 175397332
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316

Frequently Asked Questions

What is the IUPAC name of 1-pentylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 1-pentylbicyclo[3.1.0]hexan-2-ol (CID 69469372) is 1-pentylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 1-pentylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 1-pentylbicyclo[3.1.0]hexan-2-ol is CCCCCC12CC1CCC2O.
What is the InChIKey of 1-pentylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is MCQLRXZBGXRBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-7-11-8-9(11)5-6-10(11)12/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-pentylbicyclo[3.1.0]hexan-2-ol?
1-pentylbicyclo[3.1.0]hexan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 69469372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).