1,4-dimethyl-2,5-dimethylidenecyclohexane

C10H16 — CID 91157493

IUPAC1,4-dimethyl-2,5-dimethylidenecyclohexane
SMILESC=C1CC(C)C(=C)CC1C
InChIInChI=1S/C10H16/c1-7-5-9(3)10(4)6-8(7)2/h8-9H,1,4-6H2,2-3H3
InChIKeyGIHBDXMYOOHZFW-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds

About 1,4-dimethyl-2,5-dimethylidenecyclohexane

1,4-dimethyl-2,5-dimethylidenecyclohexane (PubChem CID 91157493) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,4-dimethyl-2,5-dimethylidenecyclohexane.

Molecular Properties

Compound Name1,4-dimethyl-2,5-dimethylidenecyclohexane
PubChem CID91157493
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,4-dimethyl-2,5-dimethylidenecyclohexane
SMILESC=C1CC(C)C(=C)CC1C
InChIInChI=1S/C10H16/c1-7-5-9(3)10(4)6-8(7)2/h8-9H,1,4-6H2,2-3H3
InChIKeyGIHBDXMYOOHZFW-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
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 1,4-dimethyl-2,5-dimethylidenecyclohexane?
The IUPAC name of 1,4-dimethyl-2,5-dimethylidenecyclohexane (CID 91157493) is 1,4-dimethyl-2,5-dimethylidenecyclohexane.
What is the SMILES notation for 1,4-dimethyl-2,5-dimethylidenecyclohexane?
The canonical SMILES for 1,4-dimethyl-2,5-dimethylidenecyclohexane is C=C1CC(C)C(=C)CC1C.
What is the InChIKey of 1,4-dimethyl-2,5-dimethylidenecyclohexane?
The InChIKey is GIHBDXMYOOHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-5-9(3)10(4)6-8(7)2/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 1,4-dimethyl-2,5-dimethylidenecyclohexane?
1,4-dimethyl-2,5-dimethylidenecyclohexane has a molecular weight of 136.24 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,5-dimethylidenecyclohexane is sourced from PubChem (CID 91157493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).