8-chlorooct-4-en-3-ol

C8H15ClO — CID 71392279

IUPAC8-chlorooct-4-en-3-ol
SMILESCCC(O)C=CCCCCl
InChIInChI=1S/C8H15ClO/c1-2-8(10)6-4-3-5-7-9/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyMZUQMIZNXWGKTP-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.33
Rot. Bonds5

About 8-chlorooct-4-en-3-ol

8-chlorooct-4-en-3-ol (PubChem CID 71392279) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 8-chlorooct-4-en-3-ol.

Molecular Properties

Compound Name8-chlorooct-4-en-3-ol
PubChem CID71392279
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name8-chlorooct-4-en-3-ol
SMILESCCC(O)C=CCCCCl
InChIInChI=1S/C8H15ClO/c1-2-8(10)6-4-3-5-7-9/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyMZUQMIZNXWGKTP-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,11R)-11-hydroxytridec-9-enoic acid
CID 162884885
(E,3R)-hept-4-en-3-ol
CID 11007865
(Z)-6-chloro-1,1-dimethoxyhex-2-ene
CID 146574511
(4E,6Z,9Z,12Z)-octadeca-4,6,9,12-tetraen-3-ol
CID 89023935
(Z)-7-chlorohept-3-ene
CID 12513367
undec-5-en-4-ol
CID 73071371
N-(16-hydroxyoctadec-14-enyl)tetradecanamide
CID 87918867
(E)-9-chloro-2-methylnon-5-en-3-ol
CID 102471897
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
henicos-7-en-6-ol
CID 91409967
(4E,6E)-1,10-dichlorodeca-4,6-diene
CID 11310278
(E)-hex-4-en-3-ol
CID 5366234

Frequently Asked Questions

What is the IUPAC name of 8-chlorooct-4-en-3-ol?
The IUPAC name of 8-chlorooct-4-en-3-ol (CID 71392279) is 8-chlorooct-4-en-3-ol.
What is the SMILES notation for 8-chlorooct-4-en-3-ol?
The canonical SMILES for 8-chlorooct-4-en-3-ol is CCC(O)C=CCCCCl.
What is the InChIKey of 8-chlorooct-4-en-3-ol?
The InChIKey is MZUQMIZNXWGKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-2-8(10)6-4-3-5-7-9/h4,6,8,10H,2-3,5,7H2,1H3.
What are the key properties of 8-chlorooct-4-en-3-ol?
8-chlorooct-4-en-3-ol has a molecular weight of 162.66 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorooct-4-en-3-ol is sourced from PubChem (CID 71392279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).