[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane

C10H17I — CID 91620287

IUPAC[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane
SMILESC/C(=C\C1CCCCC1)CI
InChIInChI=1S/C10H17I/c1-9(8-11)7-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKeyADGGRYBAWAGQLT-VQHVLOKHSA-N
MW264.15 g/mol
LogP3.95
Rot. Bonds2

About [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane

[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane (PubChem CID 91620287) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane
PubChem CID91620287
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane
SMILESC/C(=C\C1CCCCC1)CI
InChIInChI=1S/C10H17I/c1-9(8-11)7-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKeyADGGRYBAWAGQLT-VQHVLOKHSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
CID 131275429
3-cyclopentyl-2-methylprop-2-en-1-ol
CID 79334568
(E)-3-cyclobutyl-2-methylprop-2-en-1-amine
CID 131543133
N-tert-butyl-3-cyclooctyl-2-methylprop-2-en-1-amine
CID 114207977
3-cyclopentyl-N-ethyl-2-methylprop-2-en-1-amine
CID 79340901
5-cyclopentyl-4-methylpent-4-enal
CID 78076892
[(E)-2-iodobut-1-enyl]cyclohexane
CID 11219259
2-(3-cyclohexyl-2-methylprop-2-enyl)piperidine
CID 104855420
[(Z)-2-bromo-2-iodoethenyl]cyclohexane
CID 134933225
2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid
CID 56619230
(E)-3-cyclohexyl-2-methylprop-2-enoate
CID 21225952
2-(cycloheptylmethylidene)butan-1-ol
CID 79335200

Frequently Asked Questions

What is the IUPAC name of [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane (CID 91620287) is [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane is C/C(=C\C1CCCCC1)CI.
What is the InChIKey of [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane?
The InChIKey is ADGGRYBAWAGQLT-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17I/c1-9(8-11)7-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3/b9-7+.
What are the key properties of [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane?
[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane has a molecular weight of 264.15 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-iodo-2-methylprop-1-enyl]cyclohexane is sourced from PubChem (CID 91620287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).