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

C12H18 — CID 163586300

IUPAC1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene
SMILESC=CC/C=C\C1=C(C)CCC1C
InChIInChI=1S/C12H18/c1-4-5-6-7-12-10(2)8-9-11(12)3/h4,6-7,10H,1,5,8-9H2,2-3H3/b7-6-
InChIKeyGLTPVBIUWRXUMH-SREVYHEPSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds3

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

1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene (PubChem CID 163586300) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene.

Molecular Properties

Compound Name1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene
PubChem CID163586300
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene
SMILESC=CC/C=C\C1=C(C)CCC1C
InChIInChI=1S/C12H18/c1-4-5-6-7-12-10(2)8-9-11(12)3/h4,6-7,10H,1,5,8-9H2,2-3H3/b7-6-
InChIKeyGLTPVBIUWRXUMH-SREVYHEPSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene?
The IUPAC name of 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene (CID 163586300) is 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene.
What is the SMILES notation for 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene?
The canonical SMILES for 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene is C=CC/C=C\C1=C(C)CCC1C.
What is the InChIKey of 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene?
The InChIKey is GLTPVBIUWRXUMH-SREVYHEPSA-N. The full InChI is InChI=1S/C12H18/c1-4-5-6-7-12-10(2)8-9-11(12)3/h4,6-7,10H,1,5,8-9H2,2-3H3/b7-6-.
What are the key properties of 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene?
1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene is sourced from PubChem (CID 163586300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).