2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene

C12H18 — CID 176703832

IUPAC2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene
SMILESC=C/C=C(/C)C1=C(C)C(C)CC1
InChIInChI=1S/C12H18/c1-5-6-10(3)12-8-7-9(2)11(12)4/h5-6,9H,1,7-8H2,2-4H3/b10-6-
InChIKeyMGKGODJHTJRIPO-POHAHGRESA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds2

About 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene

2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene (PubChem CID 176703832) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene.

Molecular Properties

Compound Name2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene
PubChem CID176703832
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene
SMILESC=C/C=C(/C)C1=C(C)C(C)CC1
InChIInChI=1S/C12H18/c1-5-6-10(3)12-8-7-9(2)11(12)4/h5-6,9H,1,7-8H2,2-4H3/b10-6-
InChIKeyMGKGODJHTJRIPO-POHAHGRESA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene
CID 169145908
N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine
CID 177053862
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
1-[(Z)-but-2-en-2-yl]-2-ethyl-3-methylcyclopentene
CID 178164613
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
1,2,3,6-tetramethylcyclohexene
CID 21243938
1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene
CID 163586300
bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane
CID 23287453
1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene
CID 54431612
(6E)-6-[(Z)-but-2-enylidene]-1-cyclopropyl-2-methyl-7-methylidene-3-[(2Z)-penta-2,4-dien-2-yl]-4H-azepin-5-one
CID 89143598
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
[(3E)-hexa-3,5-dien-3-yl]cyclopropane
CID 13014702

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene?
The IUPAC name of 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene (CID 176703832) is 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene.
What is the SMILES notation for 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene?
The canonical SMILES for 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene is C=C/C=C(/C)C1=C(C)C(C)CC1.
What is the InChIKey of 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene?
The InChIKey is MGKGODJHTJRIPO-POHAHGRESA-N. The full InChI is InChI=1S/C12H18/c1-5-6-10(3)12-8-7-9(2)11(12)4/h5-6,9H,1,7-8H2,2-4H3/b10-6-.
What are the key properties of 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene?
2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene is sourced from PubChem (CID 176703832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).