2,4-dimethoxy-1-methylidenecyclohexane

C9H16O2 — CID 91329046

IUPAC2,4-dimethoxy-1-methylidenecyclohexane
SMILESC=C1CCC(OC)CC1OC
InChIInChI=1S/C9H16O2/c1-7-4-5-8(10-2)6-9(7)11-3/h8-9H,1,4-6H2,2-3H3
InChIKeyJAJPHYQZJOUKEP-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds2

About 2,4-dimethoxy-1-methylidenecyclohexane

2,4-dimethoxy-1-methylidenecyclohexane (PubChem CID 91329046) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,4-dimethoxy-1-methylidenecyclohexane.

Molecular Properties

Compound Name2,4-dimethoxy-1-methylidenecyclohexane
PubChem CID91329046
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,4-dimethoxy-1-methylidenecyclohexane
SMILESC=C1CCC(OC)CC1OC
InChIInChI=1S/C9H16O2/c1-7-4-5-8(10-2)6-9(7)11-3/h8-9H,1,4-6H2,2-3H3
InChIKeyJAJPHYQZJOUKEP-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-1-methylidenecyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dimethoxy-5-methylidenecyclohexane
CID 15710807
1,5-Dimethoxy-2,3-dimethylidenecyclohexane
CID 20632849
3-Methoxy-2-methylidenecyclohexan-1-ol
CID 90852439
1,3-Dimethoxy-2-methylidenecyclohexane
CID 90969283
3,5-Dimethoxy-2-methylidenecyclohexan-1-ol
CID 91158347
1,3-Diethoxy-2-methylidenecyclohexane
CID 91306145
1,2,3-Trimethoxy-5-methylidenecyclohexane
CID 91345450
3-Methoxy-4-methylidenecyclohexan-1-ol
CID 91352795
1-Ethoxy-3-methoxy-2-methylidenecyclohexane
CID 91554838
4-Methoxy-1-methylidene-2-prop-2-ynoxycyclohexane
CID 123581621
3,5-Dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene
CID 123915006
[2,4,6-Trimethoxy-3,5-bis(oxomethylidene)cyclohexylidene]methanone
CID 172821590

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-methylidenecyclohexane?
The IUPAC name of 2,4-dimethoxy-1-methylidenecyclohexane (CID 91329046) is 2,4-dimethoxy-1-methylidenecyclohexane.
What is the SMILES notation for 2,4-dimethoxy-1-methylidenecyclohexane?
The canonical SMILES for 2,4-dimethoxy-1-methylidenecyclohexane is C=C1CCC(OC)CC1OC.
What is the InChIKey of 2,4-dimethoxy-1-methylidenecyclohexane?
The InChIKey is JAJPHYQZJOUKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-5-8(10-2)6-9(7)11-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 2,4-dimethoxy-1-methylidenecyclohexane?
2,4-dimethoxy-1-methylidenecyclohexane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-methylidenecyclohexane is sourced from PubChem (CID 91329046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).