1-chloro-4-cyclopropyl-2-methylidenecyclohexane

C10H15Cl — CID 91142412

IUPAC1-chloro-4-cyclopropyl-2-methylidenecyclohexane
SMILESC=C1CC(C2CC2)CCC1Cl
InChIInChI=1S/C10H15Cl/c1-7-6-9(8-2-3-8)4-5-10(7)11/h8-10H,1-6H2
InChIKeyIUSSPJFYBSDDGR-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.36
Rot. Bonds1

About 1-chloro-4-cyclopropyl-2-methylidenecyclohexane

1-chloro-4-cyclopropyl-2-methylidenecyclohexane (PubChem CID 91142412) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 1-chloro-4-cyclopropyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-chloro-4-cyclopropyl-2-methylidenecyclohexane
PubChem CID91142412
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name1-chloro-4-cyclopropyl-2-methylidenecyclohexane
SMILESC=C1CC(C2CC2)CCC1Cl
InChIInChI=1S/C10H15Cl/c1-7-6-9(8-2-3-8)4-5-10(7)11/h8-10H,1-6H2
InChIKeyIUSSPJFYBSDDGR-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.36
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

4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine
CID 90834219
bicyclo[2.2.0]hexane
CID 158697132
(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 13462494
4-cyclopropylpiperidin-2-one
CID 75132317
bicyclo[3.2.0]heptan-3-one
CID 12550422
2-methoxy-3-methylidenebicyclo[3.2.1]octane
CID 13493203
1,2,3,4-tetrachloro-5-methylidenecyclohexane
CID 90888986
(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane
CID 13462522
5-ethenylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 148721233
(4R)-4-chloro-1-(chloromethyl)-5-methylideneazocane
CID 163193640
2-chlorocyclopropan-1-one
CID 18624464
5-(4-chlorocyclohexyl)pyrrolidin-2-one
CID 122491329

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-cyclopropyl-2-methylidenecyclohexane?
The IUPAC name of 1-chloro-4-cyclopropyl-2-methylidenecyclohexane (CID 91142412) is 1-chloro-4-cyclopropyl-2-methylidenecyclohexane.
What is the SMILES notation for 1-chloro-4-cyclopropyl-2-methylidenecyclohexane?
The canonical SMILES for 1-chloro-4-cyclopropyl-2-methylidenecyclohexane is C=C1CC(C2CC2)CCC1Cl.
What is the InChIKey of 1-chloro-4-cyclopropyl-2-methylidenecyclohexane?
The InChIKey is IUSSPJFYBSDDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-7-6-9(8-2-3-8)4-5-10(7)11/h8-10H,1-6H2.
What are the key properties of 1-chloro-4-cyclopropyl-2-methylidenecyclohexane?
1-chloro-4-cyclopropyl-2-methylidenecyclohexane has a molecular weight of 170.68 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-cyclopropyl-2-methylidenecyclohexane is sourced from PubChem (CID 91142412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).