7-chloro-2,6,7-trimethyloct-2-ene

C11H21Cl — CID 170849035

IUPAC7-chloro-2,6,7-trimethyloct-2-ene
SMILESCC(C)=CCCC(C)C(C)(C)Cl
InChIInChI=1S/C11H21Cl/c1-9(2)7-6-8-10(3)11(4,5)12/h7,10H,6,8H2,1-5H3
InChIKeyYFWSNRYCNULLAR-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.39
Rot. Bonds4

About 7-chloro-2,6,7-trimethyloct-2-ene

7-chloro-2,6,7-trimethyloct-2-ene (PubChem CID 170849035) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 7-chloro-2,6,7-trimethyloct-2-ene.

Molecular Properties

Compound Name7-chloro-2,6,7-trimethyloct-2-ene
PubChem CID170849035
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name7-chloro-2,6,7-trimethyloct-2-ene
SMILESCC(C)=CCCC(C)C(C)(C)Cl
InChIInChI=1S/C11H21Cl/c1-9(2)7-6-8-10(3)11(4,5)12/h7,10H,6,8H2,1-5H3
InChIKeyYFWSNRYCNULLAR-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.39
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

Cyclohexene, 4-(1-chloro-1-methylethyl)-1-methyl-
CID 162397
1,6-Octadiene, 3-chloro-3,7-dimethyl-
CID 101693
Citronellyl chloride
CID 9815366
1-(Chloromethyl)-4-prop-1-en-2-ylcyclohexene
CID 11105804
6-Chloro-2,6-dimethylhept-2-ene
CID 550291
6-Chloro-4,5,6-trimethyl-2-heptene
CID 85595503
(4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene
CID 11367266
4-Tert-butyl-1-chlorocyclohexene
CID 11355769
2,5,7-Trimethyl-3-(1-methylethyl)-1,5-octadiene
CID 123481646
6-Chloro-2,6,7,7-tetramethyloct-2-ene
CID 13113735
(E)-6-chloro-4,6-dimethylhept-2-ene
CID 13291547
6-Chloro-2,4,6-trimethylhept-2-ene
CID 13291555

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,6,7-trimethyloct-2-ene?
The IUPAC name of 7-chloro-2,6,7-trimethyloct-2-ene (CID 170849035) is 7-chloro-2,6,7-trimethyloct-2-ene.
What is the SMILES notation for 7-chloro-2,6,7-trimethyloct-2-ene?
The canonical SMILES for 7-chloro-2,6,7-trimethyloct-2-ene is CC(C)=CCCC(C)C(C)(C)Cl.
What is the InChIKey of 7-chloro-2,6,7-trimethyloct-2-ene?
The InChIKey is YFWSNRYCNULLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-9(2)7-6-8-10(3)11(4,5)12/h7,10H,6,8H2,1-5H3.
What are the key properties of 7-chloro-2,6,7-trimethyloct-2-ene?
7-chloro-2,6,7-trimethyloct-2-ene has a molecular weight of 188.74 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,6,7-trimethyloct-2-ene is sourced from PubChem (CID 170849035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).