6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol

C15H31ClO2 — CID 21326788

IUPAC6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol
SMILESCCCC/C=C(/C)CCO.OCCCCCCCl
InChIInChI=1S/C9H18O.C6H13ClO/c1-3-4-5-6-9(2)7-8-10;7-5-3-1-2-4-6-8/h6,10H,3-5,7-8H2,1-2H3;8H,1-6H2/b9-6-;
InChIKeyWYQSUYVFCXJNPU-BORNJIKYSA-N
MW278.86 g/mol
LogP4.28
Rot. Bonds10

About 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol

6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol (PubChem CID 21326788) has the molecular formula C15H31ClO2 and a molecular weight of 278.86 g/mol. Its IUPAC name is 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol.

Molecular Properties

Compound Name6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol
PubChem CID21326788
Molecular FormulaC15H31ClO2
Molecular Weight278.86 g/mol
Exact Mass278.20
IUPAC Name6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol
SMILESCCCC/C=C(/C)CCO.OCCCCCCCl
InChIInChI=1S/C9H18O.C6H13ClO/c1-3-4-5-6-9(2)7-8-10;7-5-3-1-2-4-6-8/h6,10H,3-5,7-8H2,1-2H3;8H,1-6H2/b9-6-;
InChIKeyWYQSUYVFCXJNPU-BORNJIKYSA-N
XLogP4.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.86
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-methyldec-3-en-1-ol
CID 78409313
(E)-3-methyldec-3-en-1-ol
CID 6428571
1-chlorooctane;pentan-1-ol
CID 22768543
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
(E)-9-methylnonadec-9-ene
CID 14783585
4-methylhexadec-4-ene
CID 174447790
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
13-chlorotridecan-1-ol
CID 12663580

Frequently Asked Questions

What is the IUPAC name of 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol?
The IUPAC name of 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol (CID 21326788) is 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol.
What is the SMILES notation for 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol?
The canonical SMILES for 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol is CCCC/C=C(/C)CCO.OCCCCCCCl.
What is the InChIKey of 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol?
The InChIKey is WYQSUYVFCXJNPU-BORNJIKYSA-N. The full InChI is InChI=1S/C9H18O.C6H13ClO/c1-3-4-5-6-9(2)7-8-10;7-5-3-1-2-4-6-8/h6,10H,3-5,7-8H2,1-2H3;8H,1-6H2/b9-6-;.
What are the key properties of 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol?
6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol has a molecular weight of 278.86 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol is sourced from PubChem (CID 21326788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).