1,2-bis(1-iodobutylidene)cyclohexane

C14H22I2 — CID 72777748

IUPAC1,2-bis(1-iodobutylidene)cyclohexane
SMILESCCCC(I)=C1CCCCC1=C(I)CCC
InChIInChI=1S/C14H22I2/c1-3-7-13(15)11-9-5-6-10-12(11)14(16)8-4-2/h3-10H2,1-2H3
InChIKeyQVJVSVTVGJESGH-UHFFFAOYSA-N
MW444.14 g/mol
LogP6.54
Rot. Bonds4

About 1,2-bis(1-iodobutylidene)cyclohexane

1,2-bis(1-iodobutylidene)cyclohexane (PubChem CID 72777748) has the molecular formula C14H22I2 and a molecular weight of 444.14 g/mol. Its IUPAC name is 1,2-bis(1-iodobutylidene)cyclohexane.

Molecular Properties

Compound Name1,2-bis(1-iodobutylidene)cyclohexane
PubChem CID72777748
Molecular FormulaC14H22I2
Molecular Weight444.14 g/mol
Exact Mass443.98
IUPAC Name1,2-bis(1-iodobutylidene)cyclohexane
SMILESCCCC(I)=C1CCCCC1=C(I)CCC
InChIInChI=1S/C14H22I2/c1-3-7-13(15)11-9-5-6-10-12(11)14(16)8-4-2/h3-10H2,1-2H3
InChIKeyQVJVSVTVGJESGH-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.14
LogP ≤ 56.54
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

(1,2-Diiodo-3-methylbut-2-enylidene)cyclohexane
CID 13234787
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

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-iodobutylidene)cyclohexane?
The IUPAC name of 1,2-bis(1-iodobutylidene)cyclohexane (CID 72777748) is 1,2-bis(1-iodobutylidene)cyclohexane.
What is the SMILES notation for 1,2-bis(1-iodobutylidene)cyclohexane?
The canonical SMILES for 1,2-bis(1-iodobutylidene)cyclohexane is CCCC(I)=C1CCCCC1=C(I)CCC.
What is the InChIKey of 1,2-bis(1-iodobutylidene)cyclohexane?
The InChIKey is QVJVSVTVGJESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22I2/c1-3-7-13(15)11-9-5-6-10-12(11)14(16)8-4-2/h3-10H2,1-2H3.
What are the key properties of 1,2-bis(1-iodobutylidene)cyclohexane?
1,2-bis(1-iodobutylidene)cyclohexane has a molecular weight of 444.14 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-iodobutylidene)cyclohexane is sourced from PubChem (CID 72777748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).