(Z)-1,2-dichlorohept-2-ene

C7H12Cl2 — CID 55302648

IUPAC(Z)-1,2-dichlorohept-2-ene
SMILESCCCC/C=C(\Cl)CCl
InChIInChI=1S/C7H12Cl2/c1-2-3-4-5-7(9)6-8/h5H,2-4,6H2,1H3/b7-5-
InChIKeyVSNWAALFCWKISU-ALCCZGGFSA-N
MW167.08 g/mol
LogP3.54
Rot. Bonds4

About (Z)-1,2-dichlorohept-2-ene

(Z)-1,2-dichlorohept-2-ene (PubChem CID 55302648) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is (Z)-1,2-dichlorohept-2-ene.

Molecular Properties

Compound Name(Z)-1,2-dichlorohept-2-ene
PubChem CID55302648
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name(Z)-1,2-dichlorohept-2-ene
SMILESCCCC/C=C(\Cl)CCl
InChIInChI=1S/C7H12Cl2/c1-2-3-4-5-7(9)6-8/h5H,2-4,6H2,1H3/b7-5-
InChIKeyVSNWAALFCWKISU-ALCCZGGFSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,4-dichlorodec-4-en-2-one
CID 101444851
2-(chloromethyl)hept-2-enoic acid
CID 57071249
(E)-2,4-dichlorodec-4-ene
CID 23264631
(E)-1-chloro-1-fluorohept-1-ene
CID 173273597
1-chlorohex-1-enoxy(trimethyl)silane
CID 139728420
hexane;hypochlorous acid
CID 88775298
1-chlorooctadec-1-en-1-amine
CID 173460084
2-chlorohex-2-en-1-ol
CID 130125414
5-butyldec-5-ene
CID 15367252
(Z)-3-(chloromethyl)undec-3-en-2-one
CID 10965961
lithium hept-2-en-2-olate
CID 134859584
4,5-dimethyldeca-3,5-diene
CID 76540100

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-dichlorohept-2-ene?
The IUPAC name of (Z)-1,2-dichlorohept-2-ene (CID 55302648) is (Z)-1,2-dichlorohept-2-ene.
What is the SMILES notation for (Z)-1,2-dichlorohept-2-ene?
The canonical SMILES for (Z)-1,2-dichlorohept-2-ene is CCCC/C=C(\Cl)CCl.
What is the InChIKey of (Z)-1,2-dichlorohept-2-ene?
The InChIKey is VSNWAALFCWKISU-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H12Cl2/c1-2-3-4-5-7(9)6-8/h5H,2-4,6H2,1H3/b7-5-.
What are the key properties of (Z)-1,2-dichlorohept-2-ene?
(Z)-1,2-dichlorohept-2-ene has a molecular weight of 167.08 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-dichlorohept-2-ene is sourced from PubChem (CID 55302648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).