1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane

C10H17I — CID 144577798

IUPAC1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCCCC1CI
InChIInChI=1S/C10H17I/c1-2-5-9-6-3-4-7-10(9)8-11/h2,5,9-10H,3-4,6-8H2,1H3/b5-2+
InChIKeyRPNGWGWLMCGGCA-GORDUTHDSA-N
MW264.15 g/mol
LogP3.80
Rot. Bonds2

About 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane

1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane (PubChem CID 144577798) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane
PubChem CID144577798
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCCCC1CI
InChIInChI=1S/C10H17I/c1-2-5-9-6-3-4-7-10(9)8-11/h2,5,9-10H,3-4,6-8H2,1H3/b5-2+
InChIKeyRPNGWGWLMCGGCA-GORDUTHDSA-N
XLogP3.80
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 ≤ 53.80
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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Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane?
The IUPAC name of 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane (CID 144577798) is 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1CCCCC1CI.
What is the InChIKey of 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is RPNGWGWLMCGGCA-GORDUTHDSA-N. The full InChI is InChI=1S/C10H17I/c1-2-5-9-6-3-4-7-10(9)8-11/h2,5,9-10H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane?
1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 264.15 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 144577798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).