cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane

C11H17Cl — CID 59964397

IUPACcis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane
SMILESC=C1/C(=C\CCl)C[C@H](C)C[C@@H]1C
InChIInChI=1S/C11H17Cl/c1-8-6-9(2)10(3)11(7-8)4-5-12/h4,8-9H,3,5-7H2,1-2H3/b11-4-/t8-,9+/m1/s1
InChIKeyKQXZVQGTRSRCFK-AXANJZOCSA-N
MW184.71 g/mol
LogP3.77
Rot. Bonds1

About cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane

cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane (PubChem CID 59964397) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane.

Molecular Properties

Compound Namecis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane
PubChem CID59964397
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Namecis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane
SMILESC=C1/C(=C\CCl)C[C@H](C)C[C@@H]1C
InChIInChI=1S/C11H17Cl/c1-8-6-9(2)10(3)11(7-8)4-5-12/h4,8-9H,3,5-7H2,1-2H3/b11-4-/t8-,9+/m1/s1
InChIKeyKQXZVQGTRSRCFK-AXANJZOCSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane?
The IUPAC name of cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane (CID 59964397) is cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane.
What is the SMILES notation for cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane?
The canonical SMILES for cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane is C=C1/C(=C\CCl)C[C@H](C)C[C@@H]1C.
What is the InChIKey of cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane?
The InChIKey is KQXZVQGTRSRCFK-AXANJZOCSA-N. The full InChI is InChI=1S/C11H17Cl/c1-8-6-9(2)10(3)11(7-8)4-5-12/h4,8-9H,3,5-7H2,1-2H3/b11-4-/t8-,9+/m1/s1.
What are the key properties of cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane?
cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane has a molecular weight of 184.71 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane is sourced from PubChem (CID 59964397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).