(3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene

C11H13I — CID 89170861

IUPAC(3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene
SMILESC=C/C=C1/CCC=C/C1=C/CI
InChIInChI=1S/C11H13I/c1-2-5-10-6-3-4-7-11(10)8-9-12/h2,4-5,7-8H,1,3,6,9H2/b10-5-,11-8-
InChIKeyOIHFNRCFLOUBEW-ZCBRBLLVSA-N
MW272.13 g/mol
LogP3.81
Rot. Bonds2

About (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene

(3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene (PubChem CID 89170861) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene.

Molecular Properties

Compound Name(3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene
PubChem CID89170861
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name(3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene
SMILESC=C/C=C1/CCC=C/C1=C/CI
InChIInChI=1S/C11H13I/c1-2-5-10-6-3-4-7-11(10)8-9-12/h2,4-5,7-8H,1,3,6,9H2/b10-5-,11-8-
InChIKeyOIHFNRCFLOUBEW-ZCBRBLLVSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene?
The IUPAC name of (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene (CID 89170861) is (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene.
What is the SMILES notation for (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene?
The canonical SMILES for (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene is C=C/C=C1/CCC=C/C1=C/CI.
What is the InChIKey of (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene?
The InChIKey is OIHFNRCFLOUBEW-ZCBRBLLVSA-N. The full InChI is InChI=1S/C11H13I/c1-2-5-10-6-3-4-7-11(10)8-9-12/h2,4-5,7-8H,1,3,6,9H2/b10-5-,11-8-.
What are the key properties of (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene?
(3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene has a molecular weight of 272.13 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-(2-iodoethylidene)-4-prop-2-enylidenecyclohexene is sourced from PubChem (CID 89170861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).