[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene

C13H22 — CID 144579674

IUPAC[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene
SMILESC=C/C(=C\C)C1CCCC1.C=CC
InChIInChI=1S/C10H16.C3H6/c1-3-9(4-2)10-7-5-6-8-10;1-3-2/h3-4,10H,1,5-8H2,2H3;3H,1H2,2H3/b9-4+;
InChIKeyXXESGXPGWFYUCV-JOKMOOFLSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds2

About [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene

[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene (PubChem CID 144579674) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene.

Molecular Properties

Compound Name[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene
PubChem CID144579674
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene
SMILESC=C/C(=C\C)C1CCCC1.C=CC
InChIInChI=1S/C10H16.C3H6/c1-3-9(4-2)10-7-5-6-8-10;1-3-2/h3-4,10H,1,5-8H2,2H3;3H,1H2,2H3/b9-4+;
InChIKeyXXESGXPGWFYUCV-JOKMOOFLSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 142926355
cyclohexanol;prop-1-ene
CID 174901764
[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane
CID 142446147
(2E,4E)-5-cyclooctyl-2-ethenylhepta-2,4,6-trienamide
CID 166874467
ethane;methylcyclopentane;prop-1-ene
CID 142437781
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane
CID 155693272
ethane;methylcyclohexane;prop-1-ene
CID 143795195
(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
CID 88877979
ethylcyclopentane;prop-1-ene
CID 142059151
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081
(1E)-1-[(6E)-6-(2-cyclooctylbut-2-enylidene)-3-methyl-5-methylidene-1,4-thiazin-2-ylidene]but-3-en-2-one
CID 178049553
ethane;methanamine;(2S)-2-[(3E)-penta-1,3-dien-3-yl]oxirane
CID 156650142

Frequently Asked Questions

What is the IUPAC name of [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene?
The IUPAC name of [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene (CID 144579674) is [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene.
What is the SMILES notation for [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene?
The canonical SMILES for [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene is C=C/C(=C\C)C1CCCC1.C=CC.
What is the InChIKey of [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene?
The InChIKey is XXESGXPGWFYUCV-JOKMOOFLSA-N. The full InChI is InChI=1S/C10H16.C3H6/c1-3-9(4-2)10-7-5-6-8-10;1-3-2/h3-4,10H,1,5-8H2,2H3;3H,1H2,2H3/b9-4+;.
What are the key properties of [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene?
[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene has a molecular weight of 178.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene is sourced from PubChem (CID 144579674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).