1,2,3-trimethyl-4-methylidenecyclohexane

C10H18 — CID 123416600

IUPAC1,2,3-trimethyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)C(C)C1C
InChIInChI=1S/C10H18/c1-7-5-6-8(2)10(4)9(7)3/h8-10H,1,5-6H2,2-4H3
InChIKeyVCZYKVBKMJRANH-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds

About 1,2,3-trimethyl-4-methylidenecyclohexane

1,2,3-trimethyl-4-methylidenecyclohexane (PubChem CID 123416600) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-methylidenecyclohexane.

Molecular Properties

Compound Name1,2,3-trimethyl-4-methylidenecyclohexane
PubChem CID123416600
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2,3-trimethyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)C(C)C1C
InChIInChI=1S/C10H18/c1-7-5-6-8(2)10(4)9(7)3/h8-10H,1,5-6H2,2-4H3
InChIKeyVCZYKVBKMJRANH-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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-trimethyl-4-methylidenecyclohexane?
The IUPAC name of 1,2,3-trimethyl-4-methylidenecyclohexane (CID 123416600) is 1,2,3-trimethyl-4-methylidenecyclohexane.
What is the SMILES notation for 1,2,3-trimethyl-4-methylidenecyclohexane?
The canonical SMILES for 1,2,3-trimethyl-4-methylidenecyclohexane is C=C1CCC(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-4-methylidenecyclohexane?
The InChIKey is VCZYKVBKMJRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-5-6-8(2)10(4)9(7)3/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 1,2,3-trimethyl-4-methylidenecyclohexane?
1,2,3-trimethyl-4-methylidenecyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-methylidenecyclohexane is sourced from PubChem (CID 123416600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).