2-chlorohex-1-ene

C6H11Cl — CID 10986202

IUPAC2-chlorohex-1-ene
SMILESC=C(Cl)CCCC
InChIInChI=1S/C6H11Cl/c1-3-4-5-6(2)7/h2-5H2,1H3
InChIKeyOQANCOWYULDETR-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.93
Rot. Bonds3

About 2-chlorohex-1-ene

2-chlorohex-1-ene (PubChem CID 10986202) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 2-chlorohex-1-ene.

Molecular Properties

Compound Name2-chlorohex-1-ene
PubChem CID10986202
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name2-chlorohex-1-ene
SMILESC=C(Cl)CCCC
InChIInChI=1S/C6H11Cl/c1-3-4-5-6(2)7/h2-5H2,1H3
InChIKeyOQANCOWYULDETR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

hypochlorous acid;pentanoic acid
CID 157152267
hexane;hypochlorous acid
CID 88775298
2-methylhex-1-ene
CID 158402499
CID 101454791
CID 101454791
5-chlorohex-5-en-1-ol
CID 13050385
2,6-dichlorohex-1-ene
CID 13050386
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
decane;hypochlorous acid
CID 88775425
dodecanoic acid;5-methylidenenonane
CID 87640526
3,6,9-trimethylidenetridecan-1-amine
CID 167182420
(E)-1,2-dichlorohex-1-en-1-ol
CID 118276208

Frequently Asked Questions

What is the IUPAC name of 2-chlorohex-1-ene?
The IUPAC name of 2-chlorohex-1-ene (CID 10986202) is 2-chlorohex-1-ene.
What is the SMILES notation for 2-chlorohex-1-ene?
The canonical SMILES for 2-chlorohex-1-ene is C=C(Cl)CCCC.
What is the InChIKey of 2-chlorohex-1-ene?
The InChIKey is OQANCOWYULDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-3-4-5-6(2)7/h2-5H2,1H3.
What are the key properties of 2-chlorohex-1-ene?
2-chlorohex-1-ene has a molecular weight of 118.61 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorohex-1-ene is sourced from PubChem (CID 10986202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).