(E)-1-chlorohex-1-ene

C6H11Cl — CID 643138

IUPAC(E)-1-chlorohex-1-ene
SMILESCCCC/C=C/Cl
InChIInChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h5-6H,2-4H2,1H3/b6-5+
InChIKeyUZIBPOIXTCIHBH-AATRIKPKSA-N
MW118.61 g/mol
LogP2.93
Rot. Bonds3

About (E)-1-chlorohex-1-ene

(E)-1-chlorohex-1-ene (PubChem CID 643138) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is (E)-1-chlorohex-1-ene.

Molecular Properties

Compound Name(E)-1-chlorohex-1-ene
PubChem CID643138
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name(E)-1-chlorohex-1-ene
SMILESCCCC/C=C/Cl
InChIInChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h5-6H,2-4H2,1H3/b6-5+
InChIKeyUZIBPOIXTCIHBH-AATRIKPKSA-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

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-1-butene
CID 11242
6-Chloro-1-hexene
CID 70233
1-Chloro-1-butene
CID 5463507
1-Pentene, 1-chloro-
CID 6433781
3-Chloro-1-pentene
CID 520120
(Z)-1-chloro-hex-1-ene
CID 643940
(Z)-1-Chloro-1-butene
CID 5364401
3-Chloro-1-heptene
CID 534251
4-Chloropent-1-ene
CID 139176
1-Chloro-1-heptene
CID 5463046
(1E)-1-chloro-1-octene
CID 12352578
1-Chloro-2-heptene
CID 5475544

Frequently Asked Questions

What is the IUPAC name of (E)-1-chlorohex-1-ene?
The IUPAC name of (E)-1-chlorohex-1-ene (CID 643138) is (E)-1-chlorohex-1-ene.
What is the SMILES notation for (E)-1-chlorohex-1-ene?
The canonical SMILES for (E)-1-chlorohex-1-ene is CCCC/C=C/Cl.
What is the InChIKey of (E)-1-chlorohex-1-ene?
The InChIKey is UZIBPOIXTCIHBH-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h5-6H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-1-chlorohex-1-ene?
(E)-1-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 (E)-1-chlorohex-1-ene is sourced from PubChem (CID 643138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).