5-chlorohex-5-en-1-ol

C6H11ClO — CID 13050385

IUPAC5-chlorohex-5-en-1-ol
SMILESC=C(Cl)CCCCO
InChIInChI=1S/C6H11ClO/c1-6(7)4-2-3-5-8/h8H,1-5H2
InChIKeyCAGBZCKQROOFPK-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.90
Rot. Bonds4

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

5-chlorohex-5-en-1-ol (PubChem CID 13050385) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 5-chlorohex-5-en-1-ol.

Molecular Properties

Compound Name5-chlorohex-5-en-1-ol
PubChem CID13050385
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name5-chlorohex-5-en-1-ol
SMILESC=C(Cl)CCCCO
InChIInChI=1S/C6H11ClO/c1-6(7)4-2-3-5-8/h8H,1-5H2
InChIKeyCAGBZCKQROOFPK-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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

2,6-dichlorohex-1-ene
CID 13050386
2-chlorohex-1-ene
CID 10986202
5-methylhex-5-en-1-ol
CID 10820498
6-hydroxyhexanoyl chloride
CID 87077852
6-bromohept-6-en-1-ol
CID 122546452
hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
5-hydroxypentanoic acid
CID 25945
31-hydroxyhentriacontanoic acid
CID 71339995
38-hydroxyoctatriacontanoic acid
CID 18981443
10-hydroxydecanoic acid
CID 138734563
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712

Frequently Asked Questions

What is the IUPAC name of 5-chlorohex-5-en-1-ol?
The IUPAC name of 5-chlorohex-5-en-1-ol (CID 13050385) is 5-chlorohex-5-en-1-ol.
What is the SMILES notation for 5-chlorohex-5-en-1-ol?
The canonical SMILES for 5-chlorohex-5-en-1-ol is C=C(Cl)CCCCO.
What is the InChIKey of 5-chlorohex-5-en-1-ol?
The InChIKey is CAGBZCKQROOFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-6(7)4-2-3-5-8/h8H,1-5H2.
What are the key properties of 5-chlorohex-5-en-1-ol?
5-chlorohex-5-en-1-ol has a molecular weight of 134.61 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorohex-5-en-1-ol is sourced from PubChem (CID 13050385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).