(1,2-diiodo-3-methylbut-2-enylidene)cyclohexane

C11H16I2 — CID 13234787

IUPAC(1,2-diiodo-3-methylbut-2-enylidene)cyclohexane
SMILESCC(C)=C(I)C(I)=C1CCCCC1
InChIInChI=1S/C11H16I2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-7H2,1-2H3
InChIKeyKXTHBNNSQHVNIO-UHFFFAOYSA-N
MW402.06 g/mol
LogP5.37
Rot. Bonds1

About (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane

(1,2-diiodo-3-methylbut-2-enylidene)cyclohexane (PubChem CID 13234787) has the molecular formula C11H16I2 and a molecular weight of 402.06 g/mol. Its IUPAC name is (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane.

Molecular Properties

Compound Name(1,2-diiodo-3-methylbut-2-enylidene)cyclohexane
PubChem CID13234787
Molecular FormulaC11H16I2
Molecular Weight402.06 g/mol
Exact Mass401.93
IUPAC Name(1,2-diiodo-3-methylbut-2-enylidene)cyclohexane
SMILESCC(C)=C(I)C(I)=C1CCCCC1
InChIInChI=1S/C11H16I2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-7H2,1-2H3
InChIKeyKXTHBNNSQHVNIO-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.06
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Diisopropylidenecyclohexane
CID 57564413
4,5-Diethyl-3,6-diiodoocta-3,5-diene
CID 71339615
4-Iodo-5-(2-iodoethyl)oct-4-ene
CID 73118559
(3Z,5Z)-4,5-diethyl-3,6-diiodoocta-3,5-diene
CID 11112540
(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane
CID 11248441
(1Z,2Z)-1,2-bis(1-iodobutylidene)cyclohexane
CID 11270713
(4Z,6Z)-4,7-diiodo-5,6-dipropyldeca-4,6-diene
CID 11488324
(2-Cyclohexylidene-1,2-diiodoethylidene)cyclohexane
CID 13234788
(3Z,5Z)-4-ethyl-3,6-diiodo-5-propylnona-3,5-diene
CID 15329312
(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene
CID 135039011
(Z)-5-iodo-6-[(Z)-2-iodoethenyl]dec-5-ene
CID 135086569
1-Iodoethylidenecyclohexane
CID 13268581

Frequently Asked Questions

What is the IUPAC name of (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane?
The IUPAC name of (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane (CID 13234787) is (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane.
What is the SMILES notation for (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane?
The canonical SMILES for (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane is CC(C)=C(I)C(I)=C1CCCCC1.
What is the InChIKey of (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane?
The InChIKey is KXTHBNNSQHVNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16I2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-7H2,1-2H3.
What are the key properties of (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane?
(1,2-diiodo-3-methylbut-2-enylidene)cyclohexane has a molecular weight of 402.06 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diiodo-3-methylbut-2-enylidene)cyclohexane is sourced from PubChem (CID 13234787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).