2-cyclohexylhex-5-en-2-ol

C12H22O — CID 538697

IUPAC2-cyclohexylhex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CCCCC1
InChIInChI=1S/C12H22O/c1-3-4-10-12(2,13)11-8-6-5-7-9-11/h3,11,13H,1,4-10H2,2H3
InChIKeyXDKVCESBHDOLFL-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds4

About 2-cyclohexylhex-5-en-2-ol

2-cyclohexylhex-5-en-2-ol (PubChem CID 538697) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-cyclohexylhex-5-en-2-ol.

Molecular Properties

Compound Name2-cyclohexylhex-5-en-2-ol
PubChem CID538697
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-cyclohexylhex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CCCCC1
InChIInChI=1S/C12H22O/c1-3-4-10-12(2,13)11-8-6-5-7-9-11/h3,11,13H,1,4-10H2,2H3
InChIKeyXDKVCESBHDOLFL-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylhex-5-en-2-ol?
The IUPAC name of 2-cyclohexylhex-5-en-2-ol (CID 538697) is 2-cyclohexylhex-5-en-2-ol.
What is the SMILES notation for 2-cyclohexylhex-5-en-2-ol?
The canonical SMILES for 2-cyclohexylhex-5-en-2-ol is C=CCCC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylhex-5-en-2-ol?
The InChIKey is XDKVCESBHDOLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-10-12(2,13)11-8-6-5-7-9-11/h3,11,13H,1,4-10H2,2H3.
What are the key properties of 2-cyclohexylhex-5-en-2-ol?
2-cyclohexylhex-5-en-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylhex-5-en-2-ol is sourced from PubChem (CID 538697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).