1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene

C12H18 — CID 144803270

IUPAC1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene
SMILESC=CC(C)(CC)C1=C(C)CC=C1
InChIInChI=1S/C12H18/c1-5-12(4,6-2)11-9-7-8-10(11)3/h5,7,9H,1,6,8H2,2-4H3
InChIKeyFVBKIJLPADCVDS-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds3

About 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene

1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene (PubChem CID 144803270) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene
PubChem CID144803270
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene
SMILESC=CC(C)(CC)C1=C(C)CC=C1
InChIInChI=1S/C12H18/c1-5-12(4,6-2)11-9-7-8-10(11)3/h5,7,9H,1,6,8H2,2-4H3
InChIKeyFVBKIJLPADCVDS-UHFFFAOYSA-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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Related Compounds

2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene
CID 143498372
1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene
CID 144712629
CID 161173679
CID 161173679
1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
CID 54440744
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 123492298
1-(3-methylpent-1-en-3-yl)-4-(trifluoromethoxy)benzene
CID 170248741
CID 173322329
CID 173322329
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane
CID 143714631
1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene
CID 144776562
1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene;2,3,4-trimethylpenta-1,3-diene
CID 144712628

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene (CID 144803270) is 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene is C=CC(C)(CC)C1=C(C)CC=C1.
What is the InChIKey of 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene?
The InChIKey is FVBKIJLPADCVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-5-12(4,6-2)11-9-7-8-10(11)3/h5,7,9H,1,6,8H2,2-4H3.
What are the key properties of 1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene?
1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene 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-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 144803270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).