1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene

C10H14 — CID 54440744

IUPAC1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
SMILESC=C(C)CC1=C(C)CC=C1
InChIInChI=1S/C10H14/c1-8(2)7-10-6-4-5-9(10)3/h4,6H,1,5,7H2,2-3H3
InChIKeyWNXNQVMUYNMQHA-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds2

About 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene

1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene (PubChem CID 54440744) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
PubChem CID54440744
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
SMILESC=C(C)CC1=C(C)CC=C1
InChIInChI=1S/C10H14/c1-8(2)7-10-6-4-5-9(10)3/h4,6H,1,5,7H2,2-3H3
InChIKeyWNXNQVMUYNMQHA-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
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

Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Farnesene
CID 5281517
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
1-Methyl-1,3-cyclopentadiene
CID 66775

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene?
The IUPAC name of 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene (CID 54440744) is 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene is C=C(C)CC1=C(C)CC=C1.
What is the InChIKey of 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene?
The InChIKey is WNXNQVMUYNMQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8(2)7-10-6-4-5-9(10)3/h4,6H,1,5,7H2,2-3H3.
What are the key properties of 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene?
1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene is sourced from PubChem (CID 54440744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).