(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane

C16H26I2 — CID 11248441

IUPAC(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane
SMILESCCCC/C(I)=C1\CCCC\C1=C(\I)CCCC
InChIInChI=1S/C16H26I2/c1-3-5-11-15(17)13-9-7-8-10-14(13)16(18)12-6-4-2/h3-12H2,1-2H3/b15-13-,16-14-
InChIKeyNDJSUMIZXAEQKQ-VMNXYWKNSA-N
MW472.19 g/mol
LogP7.32
Rot. Bonds6

About (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane

(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane (PubChem CID 11248441) has the molecular formula C16H26I2 and a molecular weight of 472.19 g/mol. Its IUPAC name is (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane.

Molecular Properties

Compound Name(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane
PubChem CID11248441
Molecular FormulaC16H26I2
Molecular Weight472.19 g/mol
Exact Mass472.01
IUPAC Name(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane
SMILESCCCC/C(I)=C1\CCCC\C1=C(\I)CCCC
InChIInChI=1S/C16H26I2/c1-3-5-11-15(17)13-9-7-8-10-14(13)16(18)12-6-4-2/h3-12H2,1-2H3/b15-13-,16-14-
InChIKeyNDJSUMIZXAEQKQ-VMNXYWKNSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.19
LogP ≤ 57.32
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
4,5-Diethyl-3,6-diiodoocta-3,5-diene
CID 71339615
(3Z,5Z)-4,5-diethyl-3,6-diiodoocta-3,5-diene
CID 11112540
(1Z,2Z)-1,2-bis(1-iodobutylidene)cyclohexane
CID 11270713
(4Z,6Z)-4,7-diiodo-5,6-dipropyldeca-4,6-diene
CID 11488324
(5Z,7Z)-6,7-dibutyl-5,8-diiodododeca-5,7-diene
CID 11635110
(2-Cyclohexylidene-1,2-diiodoethylidene)cyclohexane
CID 13234788
(3Z,5Z)-4-ethyl-3,6-diiodo-5-propylnona-3,5-diene
CID 15329312
(6Z,8Z)-6,9-diiodo-7,8-dipentyltetradeca-6,8-diene
CID 134887868
(3Z,5Z)-5-butyl-4-ethyl-3,6-diiododeca-3,5-diene
CID 135039011
2-(1-Iodoethyl)-1,4,5-trimethyl-3-methylidenecyclohexa-1,4-diene
CID 66792612
6,7-Dibutyl-5,8-diiodododeca-5,7-diene
CID 71360056

Frequently Asked Questions

What is the IUPAC name of (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane?
The IUPAC name of (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane (CID 11248441) is (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane.
What is the SMILES notation for (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane?
The canonical SMILES for (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane is CCCC/C(I)=C1\CCCC\C1=C(\I)CCCC.
What is the InChIKey of (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane?
The InChIKey is NDJSUMIZXAEQKQ-VMNXYWKNSA-N. The full InChI is InChI=1S/C16H26I2/c1-3-5-11-15(17)13-9-7-8-10-14(13)16(18)12-6-4-2/h3-12H2,1-2H3/b15-13-,16-14-.
What are the key properties of (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane?
(1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane has a molecular weight of 472.19 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2Z)-1,2-bis(1-iodopentylidene)cyclohexane is sourced from PubChem (CID 11248441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).