6-chloro-2,3,6-trimethylhept-2-ene

C10H19Cl — CID 14367912

IUPAC6-chloro-2,3,6-trimethylhept-2-ene
SMILESCC(C)=C(C)CCC(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-8(2)9(3)6-7-10(4,5)11/h6-7H2,1-5H3
InChIKeyBHWXWEMPAXFDRG-UHFFFAOYSA-N
MW174.71 g/mol
LogP4.14
Rot. Bonds3

About 6-chloro-2,3,6-trimethylhept-2-ene

6-chloro-2,3,6-trimethylhept-2-ene (PubChem CID 14367912) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 6-chloro-2,3,6-trimethylhept-2-ene.

Molecular Properties

Compound Name6-chloro-2,3,6-trimethylhept-2-ene
PubChem CID14367912
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name6-chloro-2,3,6-trimethylhept-2-ene
SMILESCC(C)=C(C)CCC(C)(C)Cl
InChIInChI=1S/C10H19Cl/c1-8(2)9(3)6-7-10(4,5)11/h6-7H2,1-5H3
InChIKeyBHWXWEMPAXFDRG-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 54.14
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

1,6-Octadiene, 3-chloro-3,7-dimethyl-
CID 101693
6-Chloro-2,6-dimethylhept-2-ene
CID 550291
6-Chloro-2,4,6-trimethylhept-2-ene
CID 13291555
6-Chloro-2,6-dimethyloct-2-ene
CID 14367913
6-Chloro-2,6-dimethylnon-2-ene
CID 15140241
(E)-6-chloro-3,4,6-trimethylhept-2-ene
CID 170848958
3-Chloro-2-methylhept-2-ene
CID 12550096
(e)-4-Chloro-5-ethyloct-4-ene
CID 125476371
(e)-6-Chloro-5-methyldec-5-ene
CID 125476651
6-Chloro-2,3,5,6-tetramethylhept-2-ene
CID 14367916
7-Chloro-2,7-dimethylnon-2-ene
CID 170849082
(E)-7-chloro-3,7-dimethyloct-2-ene
CID 15782188

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3,6-trimethylhept-2-ene?
The IUPAC name of 6-chloro-2,3,6-trimethylhept-2-ene (CID 14367912) is 6-chloro-2,3,6-trimethylhept-2-ene.
What is the SMILES notation for 6-chloro-2,3,6-trimethylhept-2-ene?
The canonical SMILES for 6-chloro-2,3,6-trimethylhept-2-ene is CC(C)=C(C)CCC(C)(C)Cl.
What is the InChIKey of 6-chloro-2,3,6-trimethylhept-2-ene?
The InChIKey is BHWXWEMPAXFDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-8(2)9(3)6-7-10(4,5)11/h6-7H2,1-5H3.
What are the key properties of 6-chloro-2,3,6-trimethylhept-2-ene?
6-chloro-2,3,6-trimethylhept-2-ene has a molecular weight of 174.71 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,6-trimethylhept-2-ene is sourced from PubChem (CID 14367912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).