2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one

C14H23IO — CID 101389500

IUPAC2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1CCC(=O)C1(C)CCC/C=C\I
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-
InChIKeyYLPDRWCBLZGXQS-POHAHGRESA-N
MW334.24 g/mol
LogP4.75
Rot. Bonds5

About 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one

2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one (PubChem CID 101389500) has the molecular formula C14H23IO and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
PubChem CID101389500
Molecular FormulaC14H23IO
Molecular Weight334.24 g/mol
Exact Mass334.08
IUPAC Name2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1CCC(=O)C1(C)CCC/C=C\I
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-
InChIKeyYLPDRWCBLZGXQS-POHAHGRESA-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 ≤ 500334.24
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'}

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Related Compounds

(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 136913167
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
cis-(2R,3S)-2-methyl-3-[(1S)-1-(3-methylbutoxy)ethyl]-2-(3-oxobutyl)cyclopentan-1-one
CID 11076912
2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one
CID 10542655
2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 85299271
cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 53381704
3-[(3R,3aR,5aR,6S,9aS,9bS)-3a,6-dimethyl-7-oxo-3-propan-2-yl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanenitrile
CID 158127449
2-hydroxy-7-[(1R,2R)-1-methyl-2-(3-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid
CID 54382796
S-tert-butyl (2R)-2-[(1R,2R)-2-methyl-2-(2-methylprop-2-enyl)-3-oxocyclopentyl]hept-5-enethioate
CID 134866172
2,3-dimethyl-2-octylcyclohexan-1-one
CID 66609524

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The IUPAC name of 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one (CID 101389500) is 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The canonical SMILES for 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one is CC(C)C1CCC(=O)C1(C)CCC/C=C\I.
What is the InChIKey of 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The InChIKey is YLPDRWCBLZGXQS-POHAHGRESA-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-.
What are the key properties of 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one has a molecular weight of 334.24 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 2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 101389500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).