(E)-1-chlorooct-1-en-3-ol

C8H15ClO — CID 14723484

IUPAC(E)-1-chlorooct-1-en-3-ol
SMILESCCCCCC(O)/C=C/Cl
InChIInChI=1S/C8H15ClO/c1-2-3-4-5-8(10)6-7-9/h6-8,10H,2-5H2,1H3/b7-6+
InChIKeyRFZKWATZFBAMKS-VOTSOKGWSA-N
MW162.66 g/mol
LogP2.68
Rot. Bonds5

About (E)-1-chlorooct-1-en-3-ol

(E)-1-chlorooct-1-en-3-ol (PubChem CID 14723484) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is (E)-1-chlorooct-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-chlorooct-1-en-3-ol
PubChem CID14723484
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name(E)-1-chlorooct-1-en-3-ol
SMILESCCCCCC(O)/C=C/Cl
InChIInChI=1S/C8H15ClO/c1-2-3-4-5-8(10)6-7-9/h6-8,10H,2-5H2,1H3/b7-6+
InChIKeyRFZKWATZFBAMKS-VOTSOKGWSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-undec-2-en-4-ol
CID 14320443
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857
(E)-non-2-ene-1,4-diol
CID 14106146
octadec-3-en-5-ol
CID 144649733
(E,4R)-non-2-ene-1,4-diol
CID 11030095
(4S)-4-hydroxynon-2-enal
CID 173082436
henicos-7-en-6-ol
CID 91409967
4-hydroxynonadec-2-enal
CID 3025773
(Z)-dec-3-en-1-yn-5-ol
CID 146163105
icosa-7,15-diene-6,9-diol
CID 57175111

Frequently Asked Questions

What is the IUPAC name of (E)-1-chlorooct-1-en-3-ol?
The IUPAC name of (E)-1-chlorooct-1-en-3-ol (CID 14723484) is (E)-1-chlorooct-1-en-3-ol.
What is the SMILES notation for (E)-1-chlorooct-1-en-3-ol?
The canonical SMILES for (E)-1-chlorooct-1-en-3-ol is CCCCCC(O)/C=C/Cl.
What is the InChIKey of (E)-1-chlorooct-1-en-3-ol?
The InChIKey is RFZKWATZFBAMKS-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15ClO/c1-2-3-4-5-8(10)6-7-9/h6-8,10H,2-5H2,1H3/b7-6+.
What are the key properties of (E)-1-chlorooct-1-en-3-ol?
(E)-1-chlorooct-1-en-3-ol has a molecular weight of 162.66 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chlorooct-1-en-3-ol is sourced from PubChem (CID 14723484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).