2-methoxy-1,3-dimethyl-5-methylidenecyclohexane

C10H18O — CID 123330064

IUPAC2-methoxy-1,3-dimethyl-5-methylidenecyclohexane
SMILESC=C1CC(C)C(OC)C(C)C1
InChIInChI=1S/C10H18O/c1-7-5-8(2)10(11-4)9(3)6-7/h8-10H,1,5-6H2,2-4H3
InChIKeyHPMAMEYVEWYVCQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.62
Rot. Bonds1

About 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane

2-methoxy-1,3-dimethyl-5-methylidenecyclohexane (PubChem CID 123330064) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane.

Molecular Properties

Compound Name2-methoxy-1,3-dimethyl-5-methylidenecyclohexane
PubChem CID123330064
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methoxy-1,3-dimethyl-5-methylidenecyclohexane
SMILESC=C1CC(C)C(OC)C(C)C1
InChIInChI=1S/C10H18O/c1-7-5-8(2)10(11-4)9(3)6-7/h8-10H,1,5-6H2,2-4H3
InChIKeyHPMAMEYVEWYVCQ-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane?
The IUPAC name of 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane (CID 123330064) is 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane.
What is the SMILES notation for 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane?
The canonical SMILES for 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane is C=C1CC(C)C(OC)C(C)C1.
What is the InChIKey of 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane?
The InChIKey is HPMAMEYVEWYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-5-8(2)10(11-4)9(3)6-7/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane?
2-methoxy-1,3-dimethyl-5-methylidenecyclohexane has a molecular weight of 154.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dimethyl-5-methylidenecyclohexane is sourced from PubChem (CID 123330064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).