1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane

C19H33I — CID 163720527

IUPAC1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane
SMILESCC(/C=C/CCC1CCCC1CCI)CC1CCCC1
InChIInChI=1S/C19H33I/c1-16(15-17-8-3-4-9-17)7-2-5-10-18-11-6-12-19(18)13-14-20/h2,7,16-19H,3-6,8-15H2,1H3/b7-2+
InChIKeyKRDOIRJGEYJUOQ-FARCUNLSSA-N
MW388.38 g/mol
LogP6.78
Rot. Bonds8

About 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane

1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane (PubChem CID 163720527) has the molecular formula C19H33I and a molecular weight of 388.38 g/mol. Its IUPAC name is 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane.

Molecular Properties

Compound Name1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane
PubChem CID163720527
Molecular FormulaC19H33I
Molecular Weight388.38 g/mol
Exact Mass388.16
IUPAC Name1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane
SMILESCC(/C=C/CCC1CCCC1CCI)CC1CCCC1
InChIInChI=1S/C19H33I/c1-16(15-17-8-3-4-9-17)7-2-5-10-18-11-6-12-19(18)13-14-20/h2,7,16-19H,3-6,8-15H2,1H3/b7-2+
InChIKeyKRDOIRJGEYJUOQ-FARCUNLSSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 56.78
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)-8-cyclopentyl-4-ethyloct-5-en-2-amine
CID 170237788
N-[[2-(2-iodoethyl)cyclopentyl]methyl]ethanamine
CID 156566247
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
2-cyclopropylpropylcyclobutane
CID 54087952
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(3-bromo-2-methylpropyl)cyclohexane
CID 64670797

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane?
The IUPAC name of 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane (CID 163720527) is 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane.
What is the SMILES notation for 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane?
The canonical SMILES for 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane is CC(/C=C/CCC1CCCC1CCI)CC1CCCC1.
What is the InChIKey of 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane?
The InChIKey is KRDOIRJGEYJUOQ-FARCUNLSSA-N. The full InChI is InChI=1S/C19H33I/c1-16(15-17-8-3-4-9-17)7-2-5-10-18-11-6-12-19(18)13-14-20/h2,7,16-19H,3-6,8-15H2,1H3/b7-2+.
What are the key properties of 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane?
1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane has a molecular weight of 388.38 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-cyclopentyl-5-methylhex-3-enyl]-2-(2-iodoethyl)cyclopentane is sourced from PubChem (CID 163720527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).