5-methylcyclopenta-1,3-diene

C6H8 — CID 25512

IUPAC5-methylcyclopenta-1,3-diene
SMILESCC1C=CC=C1
InChIInChI=1S/C6H8/c1-6-4-2-3-5-6/h2-6H,1H3
InChIKeyQVRBGKYLLCLCHL-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.75
Rot. Bonds

About 5-methylcyclopenta-1,3-diene

5-methylcyclopenta-1,3-diene (PubChem CID 25512) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is 5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-methylcyclopenta-1,3-diene
PubChem CID25512
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name5-methylcyclopenta-1,3-diene
SMILESCC1C=CC=C1
InChIInChI=1S/C6H8/c1-6-4-2-3-5-6/h2-6H,1H3
InChIKeyQVRBGKYLLCLCHL-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Methyl-2-pentene, (2Z)-
CID 5326159
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
1-Methyl-1,3-cyclopentadiene
CID 66775
4-Methyl-2-pentene
CID 12659
1,3-Hexadiene
CID 39175
4-Methyl-2-pentene, (2E)-
CID 172092
Dimethylhexadiene
CID 6365525
Ocimene
CID 6434062
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
7-Methylcycloheptatriene
CID 138174
2,4-Heptadiene
CID 5367544

Frequently Asked Questions

What is the IUPAC name of 5-methylcyclopenta-1,3-diene?
The IUPAC name of 5-methylcyclopenta-1,3-diene (CID 25512) is 5-methylcyclopenta-1,3-diene.
What is the SMILES notation for 5-methylcyclopenta-1,3-diene?
The canonical SMILES for 5-methylcyclopenta-1,3-diene is CC1C=CC=C1.
What is the InChIKey of 5-methylcyclopenta-1,3-diene?
The InChIKey is QVRBGKYLLCLCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-6H,1H3.
What are the key properties of 5-methylcyclopenta-1,3-diene?
5-methylcyclopenta-1,3-diene has a molecular weight of 80.13 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 25512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).