2-(cyclohexen-1-yl)pentane-2,4-diol

C11H20O2 — CID 14546133

IUPAC2-(cyclohexen-1-yl)pentane-2,4-diol
SMILESCC(O)CC(C)(O)C1=CCCCC1
InChIInChI=1S/C11H20O2/c1-9(12)8-11(2,13)10-6-4-3-5-7-10/h6,9,12-13H,3-5,7-8H2,1-2H3
InChIKeyKNFKRNHJTLJPGH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds3

About 2-(cyclohexen-1-yl)pentane-2,4-diol

2-(cyclohexen-1-yl)pentane-2,4-diol (PubChem CID 14546133) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)pentane-2,4-diol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)pentane-2,4-diol
PubChem CID14546133
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(cyclohexen-1-yl)pentane-2,4-diol
SMILESCC(O)CC(C)(O)C1=CCCCC1
InChIInChI=1S/C11H20O2/c1-9(12)8-11(2,13)10-6-4-3-5-7-10/h6,9,12-13H,3-5,7-8H2,1-2H3
InChIKeyKNFKRNHJTLJPGH-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
CID 106654920
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
CID 106651627
2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
CID 106654928
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265
2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
CID 106654909
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
CID 106651664
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
2-[(1E)-cycloocten-1-yl]-1-(2-fluorophenyl)propan-2-ol
CID 106651662
1-(cyclohexen-1-yl)-1-phenylethanol
CID 538858

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)pentane-2,4-diol?
The IUPAC name of 2-(cyclohexen-1-yl)pentane-2,4-diol (CID 14546133) is 2-(cyclohexen-1-yl)pentane-2,4-diol.
What is the SMILES notation for 2-(cyclohexen-1-yl)pentane-2,4-diol?
The canonical SMILES for 2-(cyclohexen-1-yl)pentane-2,4-diol is CC(O)CC(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)pentane-2,4-diol?
The InChIKey is KNFKRNHJTLJPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(12)8-11(2,13)10-6-4-3-5-7-10/h6,9,12-13H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)pentane-2,4-diol?
2-(cyclohexen-1-yl)pentane-2,4-diol has a molecular weight of 184.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)pentane-2,4-diol is sourced from PubChem (CID 14546133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).