1,2,3,3,4-pentamethylcyclopentene

C10H18 — CID 579269

IUPAC1,2,3,3,4-pentamethylcyclopentene
SMILESCC1=C(C)C(C)(C)C(C)C1
InChIInChI=1S/C10H18/c1-7-6-8(2)10(4,5)9(7)3/h8H,6H2,1-5H3
InChIKeyQAIUVUJHCMVPTO-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About 1,2,3,3,4-pentamethylcyclopentene

1,2,3,3,4-pentamethylcyclopentene (PubChem CID 579269) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2,3,3,4-pentamethylcyclopentene.

Molecular Properties

Compound Name1,2,3,3,4-pentamethylcyclopentene
PubChem CID579269
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2,3,3,4-pentamethylcyclopentene
SMILESCC1=C(C)C(C)(C)C(C)C1
InChIInChI=1S/C10H18/c1-7-6-8(2)10(4,5)9(7)3/h8H,6H2,1-5H3
InChIKeyQAIUVUJHCMVPTO-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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 1,2,3,3,4-pentamethylcyclopentene?
The IUPAC name of 1,2,3,3,4-pentamethylcyclopentene (CID 579269) is 1,2,3,3,4-pentamethylcyclopentene.
What is the SMILES notation for 1,2,3,3,4-pentamethylcyclopentene?
The canonical SMILES for 1,2,3,3,4-pentamethylcyclopentene is CC1=C(C)C(C)(C)C(C)C1.
What is the InChIKey of 1,2,3,3,4-pentamethylcyclopentene?
The InChIKey is QAIUVUJHCMVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-6-8(2)10(4,5)9(7)3/h8H,6H2,1-5H3.
What are the key properties of 1,2,3,3,4-pentamethylcyclopentene?
1,2,3,3,4-pentamethylcyclopentene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4-pentamethylcyclopentene is sourced from PubChem (CID 579269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).