(1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol

C12H22O — CID 15851115

IUPAC(1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol
SMILESCCCCCC[C@@H]1CC[C@@H]2C[C@]12O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-10-7-8-11-9-12(10,11)13/h10-11,13H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyQMIBYGNGAOYPJY-UTUOFQBUSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds5

About (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol

(1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol (PubChem CID 15851115) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol
PubChem CID15851115
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol
SMILESCCCCCC[C@@H]1CC[C@@H]2C[C@]12O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-10-7-8-11-9-12(10,11)13/h10-11,13H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyQMIBYGNGAOYPJY-UTUOFQBUSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol?
The IUPAC name of (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol (CID 15851115) is (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol?
The canonical SMILES for (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol is CCCCCC[C@@H]1CC[C@@H]2C[C@]12O.
What is the InChIKey of (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol?
The InChIKey is QMIBYGNGAOYPJY-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-10-7-8-11-9-12(10,11)13/h10-11,13H,2-9H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol?
(1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-hexylbicyclo[3.1.0]hexan-1-ol is sourced from PubChem (CID 15851115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).