3-(chloromethyl)hex-1-en-3-ol

C7H13ClO — CID 55298140

IUPAC3-(chloromethyl)hex-1-en-3-ol
SMILESC=CC(O)(CCl)CCC
InChIInChI=1S/C7H13ClO/c1-3-5-7(9,4-2)6-8/h4,9H,2-3,5-6H2,1H3
InChIKeyYUCLXNHGZKXGPW-UHFFFAOYSA-N
MW148.63 g/mol
LogP1.94
Rot. Bonds4

About 3-(chloromethyl)hex-1-en-3-ol

3-(chloromethyl)hex-1-en-3-ol (PubChem CID 55298140) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 3-(chloromethyl)hex-1-en-3-ol.

Molecular Properties

Compound Name3-(chloromethyl)hex-1-en-3-ol
PubChem CID55298140
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name3-(chloromethyl)hex-1-en-3-ol
SMILESC=CC(O)(CCl)CCC
InChIInChI=1S/C7H13ClO/c1-3-5-7(9,4-2)6-8/h4,9H,2-3,5-6H2,1H3
InChIKeyYUCLXNHGZKXGPW-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-bis(ethenyl)heptane
CID 154509031
(3S)-3-ethyl-3-methylhex-1-ene;propane-2,2-diol
CID 155705363
(2R)-2,4-diethylhex-5-ene-1,2,4-triol
CID 11469527
4-methanimidoylheptan-4-ol
CID 175013591
2-ethenylpropane-1,2,3-triol
CID 130123389
hex-1-ene-3,3-diamine
CID 167559937
3-ethylpenta-1,4-dien-3-ol
CID 131852756
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
1,1-bis(sulfanyl)pentane-1,2,2-triol
CID 89422410
2-(chloromethyl)-2-methylpentan-1-ol
CID 55303877
2-chloro-4-(chloromethyl)-4-methylhept-1-ene
CID 165443138
3-tert-butyloct-1-en-3-ol
CID 101445482

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)hex-1-en-3-ol?
The IUPAC name of 3-(chloromethyl)hex-1-en-3-ol (CID 55298140) is 3-(chloromethyl)hex-1-en-3-ol.
What is the SMILES notation for 3-(chloromethyl)hex-1-en-3-ol?
The canonical SMILES for 3-(chloromethyl)hex-1-en-3-ol is C=CC(O)(CCl)CCC.
What is the InChIKey of 3-(chloromethyl)hex-1-en-3-ol?
The InChIKey is YUCLXNHGZKXGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-3-5-7(9,4-2)6-8/h4,9H,2-3,5-6H2,1H3.
What are the key properties of 3-(chloromethyl)hex-1-en-3-ol?
3-(chloromethyl)hex-1-en-3-ol has a molecular weight of 148.63 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)hex-1-en-3-ol is sourced from PubChem (CID 55298140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).