(E)-2-(cyclohexen-1-yl)oct-3-en-2-ol

C14H24O — CID 135001137

IUPAC(E)-2-(cyclohexen-1-yl)oct-3-en-2-ol
SMILESCCCC/C=C/C(C)(O)C1=CCCCC1
InChIInChI=1S/C14H24O/c1-3-4-5-9-12-14(2,15)13-10-7-6-8-11-13/h9-10,12,15H,3-8,11H2,1-2H3/b12-9+
InChIKeyVDVUCYJRENTTAO-FMIVXFBMSA-N
MW208.34 g/mol
LogP3.98
Rot. Bonds5

About (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol

(E)-2-(cyclohexen-1-yl)oct-3-en-2-ol (PubChem CID 135001137) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-(cyclohexen-1-yl)oct-3-en-2-ol
PubChem CID135001137
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-2-(cyclohexen-1-yl)oct-3-en-2-ol
SMILESCCCC/C=C/C(C)(O)C1=CCCCC1
InChIInChI=1S/C14H24O/c1-3-4-5-9-12-14(2,15)13-10-7-6-8-11-13/h9-10,12,15H,3-8,11H2,1-2H3/b12-9+
InChIKeyVDVUCYJRENTTAO-FMIVXFBMSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol?
The IUPAC name of (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol (CID 135001137) is (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol.
What is the SMILES notation for (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol?
The canonical SMILES for (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol is CCCC/C=C/C(C)(O)C1=CCCCC1.
What is the InChIKey of (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol?
The InChIKey is VDVUCYJRENTTAO-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H24O/c1-3-4-5-9-12-14(2,15)13-10-7-6-8-11-13/h9-10,12,15H,3-8,11H2,1-2H3/b12-9+.
What are the key properties of (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol?
(E)-2-(cyclohexen-1-yl)oct-3-en-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(cyclohexen-1-yl)oct-3-en-2-ol is sourced from PubChem (CID 135001137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).