6-pentylbicyclo[3.1.0]hexan-1-ol

C11H20O — CID 135040529

IUPAC6-pentylbicyclo[3.1.0]hexan-1-ol
SMILESCCCCCC1C2CCCC12O
InChIInChI=1S/C11H20O/c1-2-3-4-6-9-10-7-5-8-11(9,10)12/h9-10,12H,2-8H2,1H3
InChIKeyMYQCAPSLEKJECT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.73
Rot. Bonds4

About 6-pentylbicyclo[3.1.0]hexan-1-ol

6-pentylbicyclo[3.1.0]hexan-1-ol (PubChem CID 135040529) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-pentylbicyclo[3.1.0]hexan-1-ol.

Molecular Properties

Compound Name6-pentylbicyclo[3.1.0]hexan-1-ol
PubChem CID135040529
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-pentylbicyclo[3.1.0]hexan-1-ol
SMILESCCCCCC1C2CCCC12O
InChIInChI=1S/C11H20O/c1-2-3-4-6-9-10-7-5-8-11(9,10)12/h9-10,12H,2-8H2,1H3
InChIKeyMYQCAPSLEKJECT-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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Frequently Asked Questions

What is the IUPAC name of 6-pentylbicyclo[3.1.0]hexan-1-ol?
The IUPAC name of 6-pentylbicyclo[3.1.0]hexan-1-ol (CID 135040529) is 6-pentylbicyclo[3.1.0]hexan-1-ol.
What is the SMILES notation for 6-pentylbicyclo[3.1.0]hexan-1-ol?
The canonical SMILES for 6-pentylbicyclo[3.1.0]hexan-1-ol is CCCCCC1C2CCCC12O.
What is the InChIKey of 6-pentylbicyclo[3.1.0]hexan-1-ol?
The InChIKey is MYQCAPSLEKJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-6-9-10-7-5-8-11(9,10)12/h9-10,12H,2-8H2,1H3.
What are the key properties of 6-pentylbicyclo[3.1.0]hexan-1-ol?
6-pentylbicyclo[3.1.0]hexan-1-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 6-pentylbicyclo[3.1.0]hexan-1-ol is sourced from PubChem (CID 135040529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).