1,2,3-trimethylidenecyclohexane

C9H12 — CID 10057492

IUPAC1,2,3-trimethylidenecyclohexane
SMILESC=C1CCCC(=C)C1=C
InChIInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h1-6H2
InChIKeyORKLSDFZKZPTFR-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds

About 1,2,3-trimethylidenecyclohexane

1,2,3-trimethylidenecyclohexane (PubChem CID 10057492) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1,2,3-trimethylidenecyclohexane.

Molecular Properties

Compound Name1,2,3-trimethylidenecyclohexane
PubChem CID10057492
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1,2,3-trimethylidenecyclohexane
SMILESC=C1CCCC(=C)C1=C
InChIInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h1-6H2
InChIKeyORKLSDFZKZPTFR-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylidenecyclohexane?
The IUPAC name of 1,2,3-trimethylidenecyclohexane (CID 10057492) is 1,2,3-trimethylidenecyclohexane.
What is the SMILES notation for 1,2,3-trimethylidenecyclohexane?
The canonical SMILES for 1,2,3-trimethylidenecyclohexane is C=C1CCCC(=C)C1=C.
What is the InChIKey of 1,2,3-trimethylidenecyclohexane?
The InChIKey is ORKLSDFZKZPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h1-6H2.
What are the key properties of 1,2,3-trimethylidenecyclohexane?
1,2,3-trimethylidenecyclohexane has a molecular weight of 120.19 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylidenecyclohexane is sourced from PubChem (CID 10057492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).