(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one

C14H23IO — CID 136913167

IUPAC(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
SMILES[2H][C@H]1C[C@H](C(C)C)[C@@](C)(CCC/C=C/I)C1=O
InChIInChI=1S/C14H23IO/c1-11(2)12-7-8-13(16)14(12,3)9-5-4-6-10-15/h6,10-12H,4-5,7-9H2,1-3H3/b10-6+/t12-,14-/m1/s1/i8D/t8-,12+,14+/m0
InChIKeyYLPDRWCBLZGXQS-YURXVABJSA-N
MW335.25 g/mol
LogP4.75
Rot. Bonds5

About (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one

(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one (PubChem CID 136913167) has the molecular formula C14H23IO and a molecular weight of 335.25 g/mol. Its IUPAC name is (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
PubChem CID136913167
Molecular FormulaC14H23IO
Molecular Weight335.25 g/mol
Exact Mass335.09
IUPAC Name(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
SMILES[2H][C@H]1C[C@H](C(C)C)[C@@](C)(CCC/C=C/I)C1=O
InChIInChI=1S/C14H23IO/c1-11(2)12-7-8-13(16)14(12,3)9-5-4-6-10-15/h6,10-12H,4-5,7-9H2,1-3H3/b10-6+/t12-,14-/m1/s1/i8D/t8-,12+,14+/m0
InChIKeyYLPDRWCBLZGXQS-YURXVABJSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 101389500
cis-(2R,3R)-2-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 11424115
2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde
CID 86213229
cis-(2S,3S)-2-methyl-3-propan-2-yl-2-prop-2-enylcyclopentan-1-one
CID 11171336
2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one
CID 10542655
cis-(3S,4R)-3-but-3-enyl-3-methyl-4-propan-2-ylcyclopentan-1-one
CID 102312000
(E)-1-iodo-6,6-dimethoxyhex-1-ene
CID 135030004
cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde
CID 135700159
5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66107845
cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol
CID 10734300
(E)-1-iodopentadec-1-ene
CID 13225447
cis-(2R,3S)-2-methyl-3-[(1S)-1-(3-methylbutoxy)ethyl]-2-(3-oxobutyl)cyclopentan-1-one
CID 11076912

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The IUPAC name of (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one (CID 136913167) is (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The canonical SMILES for (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one is [2H][C@H]1C[C@H](C(C)C)[C@@](C)(CCC/C=C/I)C1=O.
What is the InChIKey of (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The InChIKey is YLPDRWCBLZGXQS-YURXVABJSA-N. The full InChI is InChI=1S/C14H23IO/c1-11(2)12-7-8-13(16)14(12,3)9-5-4-6-10-15/h6,10-12H,4-5,7-9H2,1-3H3/b10-6+/t12-,14-/m1/s1/i8D/t8-,12+,14+/m0.
What are the key properties of (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one has a molecular weight of 335.25 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 136913167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).