3-chlorohept-1-ene

C7H13Cl — CID 534251

IUPAC3-chlorohept-1-ene
SMILESC=CC(Cl)CCCC
InChIInChI=1S/C7H13Cl/c1-3-5-6-7(8)4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyLDPWDXLYZCXUCU-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.97
Rot. Bonds4

About 3-chlorohept-1-ene

3-chlorohept-1-ene (PubChem CID 534251) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 3-chlorohept-1-ene.

Molecular Properties

Compound Name3-chlorohept-1-ene
PubChem CID534251
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name3-chlorohept-1-ene
SMILESC=CC(Cl)CCCC
InChIInChI=1S/C7H13Cl/c1-3-5-6-7(8)4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyLDPWDXLYZCXUCU-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-1-hexene
CID 70233
5-Chloro-1-pentene
CID 523042
1-Pentene, 1-chloro-
CID 6433781
3-Chloro-1-pentene
CID 520120
(1E)-1-Chloro-1-hexene
CID 643138
(Z)-1-chloro-hex-1-ene
CID 643940
8-Chloro-1-octene
CID 11344097
4-Chloropent-1-ene
CID 139176
1-Chloro-1-heptene
CID 5463046
(1E)-1-chloro-1-octene
CID 12352578
5-Chlorohex-1-ene
CID 14399272
7-Chloro-1-heptene
CID 12955924

Frequently Asked Questions

What is the IUPAC name of 3-chlorohept-1-ene?
The IUPAC name of 3-chlorohept-1-ene (CID 534251) is 3-chlorohept-1-ene.
What is the SMILES notation for 3-chlorohept-1-ene?
The canonical SMILES for 3-chlorohept-1-ene is C=CC(Cl)CCCC.
What is the InChIKey of 3-chlorohept-1-ene?
The InChIKey is LDPWDXLYZCXUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-3-5-6-7(8)4-2/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 3-chlorohept-1-ene?
3-chlorohept-1-ene has a molecular weight of 132.63 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorohept-1-ene is sourced from PubChem (CID 534251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).