cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane

C11H19I — CID 102318246

IUPACcis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
SMILESCC(C)=CCC[C@]1(C)C[C@H]1CI
InChIInChI=1S/C11H19I/c1-9(2)5-4-6-11(3)7-10(11)8-12/h5,10H,4,6-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyKMNPQWDWULWRFV-WDEREUQCSA-N
MW278.18 g/mol
LogP4.19
Rot. Bonds4

About cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane

cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane (PubChem CID 102318246) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
PubChem CID102318246
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Namecis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
SMILESCC(C)=CCC[C@]1(C)C[C@H]1CI
InChIInChI=1S/C11H19I/c1-9(2)5-4-6-11(3)7-10(11)8-12/h5,10H,4,6-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyKMNPQWDWULWRFV-WDEREUQCSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.19
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

ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate
CID 58895292
(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 11425969
N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-2-enamide
CID 76600034
[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol
CID 123931869
2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
CID 85361278
[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol
CID 552266
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
(2S)-3-(bromomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 121298365
(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
(2R,3S)-3-[(Z)-but-1-enyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 53350122
3-(4-methylpent-3-enyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171952164

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane?
The IUPAC name of cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane (CID 102318246) is cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane.
What is the SMILES notation for cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane?
The canonical SMILES for cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane is CC(C)=CCC[C@]1(C)C[C@H]1CI.
What is the InChIKey of cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane?
The InChIKey is KMNPQWDWULWRFV-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19I/c1-9(2)5-4-6-11(3)7-10(11)8-12/h5,10H,4,6-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane?
cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane has a molecular weight of 278.18 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane is sourced from PubChem (CID 102318246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).