2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane

C9H14Cl2 — CID 91153934

IUPAC2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane
SMILESC=C1CC(C)C(Cl)C(C)C1Cl
InChIInChI=1S/C9H14Cl2/c1-5-4-6(2)9(11)7(3)8(5)10/h6-9H,1,4H2,2-3H3
InChIKeyWJXLSCZEXHRZAP-UHFFFAOYSA-N
MW193.12 g/mol
LogP3.43
Rot. Bonds

About 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane

2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane (PubChem CID 91153934) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane.

Molecular Properties

Compound Name2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane
PubChem CID91153934
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Name2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane
SMILESC=C1CC(C)C(Cl)C(C)C1Cl
InChIInChI=1S/C9H14Cl2/c1-5-4-6(2)9(11)7(3)8(5)10/h6-9H,1,4H2,2-3H3
InChIKeyWJXLSCZEXHRZAP-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 53.43
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

1,2,3,4-tetrachloro-5-methylidenecyclohexane
CID 90888986
(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
CID 134852734
1,2,3,6-tetramethyl-4-methylidenepiperidine
CID 123747817
1,2,3-trimethyl-4-methylidenecyclohexane
CID 123416600
tert-butyl-[[(1S,2R)-2,3-dimethyl-5-methylidenecyclopentyl]methoxy]-dimethylsilane
CID 59483255
(1S,2S,4S,5S)-1,2,4,5-tetrachloro-3,6-dimethylcyclohexane
CID 101119992
5,6-dimethyl-3-methylideneoxonane-2-carboxamide
CID 170440754
1,2,3,4,5-pentachloro-6-methylcyclohexane
CID 23273625
(1S,2R,4R,5S)-1,2,3,4,5-pentachloro-6-methylcyclohexane
CID 59887322
trans-(1R,2R)-1-chloro-2-methylcyclopropane
CID 57480697
cis-(1S,2R)-1-chloro-2-methylcyclopropane
CID 130909377
2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane
CID 91509507

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane?
The IUPAC name of 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane (CID 91153934) is 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane.
What is the SMILES notation for 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane?
The canonical SMILES for 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane is C=C1CC(C)C(Cl)C(C)C1Cl.
What is the InChIKey of 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane?
The InChIKey is WJXLSCZEXHRZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2/c1-5-4-6(2)9(11)7(3)8(5)10/h6-9H,1,4H2,2-3H3.
What are the key properties of 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane?
2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane has a molecular weight of 193.12 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane is sourced from PubChem (CID 91153934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).