3,3,5,5-tetramethylcyclohexene

C10H18 — CID 10931498

IUPAC3,3,5,5-tetramethylcyclohexene
SMILESCC1(C)C=CCC(C)(C)C1
InChIInChI=1S/C10H18/c1-9(2)6-5-7-10(3,4)8-9/h5-6H,7-8H2,1-4H3
InChIKeyHGEWOBANJBALFG-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About 3,3,5,5-tetramethylcyclohexene

3,3,5,5-tetramethylcyclohexene (PubChem CID 10931498) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3,3,5,5-tetramethylcyclohexene.

Molecular Properties

Compound Name3,3,5,5-tetramethylcyclohexene
PubChem CID10931498
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3,3,5,5-tetramethylcyclohexene
SMILESCC1(C)C=CCC(C)(C)C1
InChIInChI=1S/C10H18/c1-9(2)6-5-7-10(3,4)8-9/h5-6H,7-8H2,1-4H3
InChIKeyHGEWOBANJBALFG-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 3,3,5,5-tetramethylcyclohexene?
The IUPAC name of 3,3,5,5-tetramethylcyclohexene (CID 10931498) is 3,3,5,5-tetramethylcyclohexene.
What is the SMILES notation for 3,3,5,5-tetramethylcyclohexene?
The canonical SMILES for 3,3,5,5-tetramethylcyclohexene is CC1(C)C=CCC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethylcyclohexene?
The InChIKey is HGEWOBANJBALFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9(2)6-5-7-10(3,4)8-9/h5-6H,7-8H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethylcyclohexene?
3,3,5,5-tetramethylcyclohexene 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 3,3,5,5-tetramethylcyclohexene is sourced from PubChem (CID 10931498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).