1-chlorohex-5-en-2-ol

C6H11ClO — CID 14680122

IUPAC1-chlorohex-5-en-2-ol
SMILESC=CCCC(O)CCl
InChIInChI=1S/C6H11ClO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5H2
InChIKeyYDIUXTQZSCDIFD-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.55
Rot. Bonds4

About 1-chlorohex-5-en-2-ol

1-chlorohex-5-en-2-ol (PubChem CID 14680122) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 1-chlorohex-5-en-2-ol.

Molecular Properties

Compound Name1-chlorohex-5-en-2-ol
PubChem CID14680122
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name1-chlorohex-5-en-2-ol
SMILESC=CCCC(O)CCl
InChIInChI=1S/C6H11ClO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5H2
InChIKeyYDIUXTQZSCDIFD-UHFFFAOYSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 1-chlorohex-5-en-2-ol?
The IUPAC name of 1-chlorohex-5-en-2-ol (CID 14680122) is 1-chlorohex-5-en-2-ol.
What is the SMILES notation for 1-chlorohex-5-en-2-ol?
The canonical SMILES for 1-chlorohex-5-en-2-ol is C=CCCC(O)CCl.
What is the InChIKey of 1-chlorohex-5-en-2-ol?
The InChIKey is YDIUXTQZSCDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5H2.
What are the key properties of 1-chlorohex-5-en-2-ol?
1-chlorohex-5-en-2-ol has a molecular weight of 134.61 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorohex-5-en-2-ol is sourced from PubChem (CID 14680122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).