(E)-1,2-dichlorohex-1-en-1-ol

C6H10Cl2O — CID 118276208

IUPAC(E)-1,2-dichlorohex-1-en-1-ol
SMILESCCCC/C(Cl)=C(/O)Cl
InChIInChI=1S/C6H10Cl2O/c1-2-3-4-5(7)6(8)9/h9H,2-4H2,1H3/b6-5-
InChIKeyWKSNXAQULMJXQN-WAYWQWQTSA-N
MW169.05 g/mol
LogP3.38
Rot. Bonds3

About (E)-1,2-dichlorohex-1-en-1-ol

(E)-1,2-dichlorohex-1-en-1-ol (PubChem CID 118276208) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is (E)-1,2-dichlorohex-1-en-1-ol.

Molecular Properties

Compound Name(E)-1,2-dichlorohex-1-en-1-ol
PubChem CID118276208
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name(E)-1,2-dichlorohex-1-en-1-ol
SMILESCCCC/C(Cl)=C(/O)Cl
InChIInChI=1S/C6H10Cl2O/c1-2-3-4-5(7)6(8)9/h9H,2-4H2,1H3/b6-5-
InChIKeyWKSNXAQULMJXQN-WAYWQWQTSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

19,20-dichlorooctatriacont-19-ene
CID 141390822
(E)-5-bromo-6-chlorodec-5-ene
CID 175317837
hypochlorous acid;pentanoic acid
CID 157152267
hexane;hypochlorous acid
CID 88775298
2-chlorohex-1-ene
CID 10986202
decane;hypochlorous acid
CID 88775425
(E)-2,3-dichlorooctadec-2-enoic acid
CID 3037345
pentanoyl chloride;hydrofluoride
CID 174423538
pentanoic acid;silver
CID 87285302
pentanoic acid;stannane
CID 173249748
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dichlorohex-1-en-1-ol?
The IUPAC name of (E)-1,2-dichlorohex-1-en-1-ol (CID 118276208) is (E)-1,2-dichlorohex-1-en-1-ol.
What is the SMILES notation for (E)-1,2-dichlorohex-1-en-1-ol?
The canonical SMILES for (E)-1,2-dichlorohex-1-en-1-ol is CCCC/C(Cl)=C(/O)Cl.
What is the InChIKey of (E)-1,2-dichlorohex-1-en-1-ol?
The InChIKey is WKSNXAQULMJXQN-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-2-3-4-5(7)6(8)9/h9H,2-4H2,1H3/b6-5-.
What are the key properties of (E)-1,2-dichlorohex-1-en-1-ol?
(E)-1,2-dichlorohex-1-en-1-ol has a molecular weight of 169.05 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dichlorohex-1-en-1-ol is sourced from PubChem (CID 118276208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).