(2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol

C11H18O — CID 11976995

IUPAC(2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol
SMILESC=CC[C@](C)(O)C1=CCCCC1
InChIInChI=1S/C11H18O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h3,7,12H,1,4-6,8-9H2,2H3/t11-/m0/s1
InChIKeyGEPRZUYLZQCVNQ-NSHDSACASA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds3

About (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol

(2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol (PubChem CID 11976995) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol
PubChem CID11976995
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol
SMILESC=CC[C@](C)(O)C1=CCCCC1
InChIInChI=1S/C11H18O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h3,7,12H,1,4-6,8-9H2,2H3/t11-/m0/s1
InChIKeyGEPRZUYLZQCVNQ-NSHDSACASA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
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 (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol?
The IUPAC name of (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol (CID 11976995) is (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol.
What is the SMILES notation for (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol?
The canonical SMILES for (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol is C=CC[C@](C)(O)C1=CCCCC1.
What is the InChIKey of (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol?
The InChIKey is GEPRZUYLZQCVNQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h3,7,12H,1,4-6,8-9H2,2H3/t11-/m0/s1.
What are the key properties of (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol?
(2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexen-1-yl)pent-4-en-2-ol is sourced from PubChem (CID 11976995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).