1,3-dimethoxy-2-methylidenecyclohexane

C9H16O2 — CID 90969283

IUPAC1,3-dimethoxy-2-methylidenecyclohexane
SMILESC=C1C(OC)CCCC1OC
InChIInChI=1S/C9H16O2/c1-7-8(10-2)5-4-6-9(7)11-3/h8-9H,1,4-6H2,2-3H3
InChIKeyJHNWRVRGKCOULE-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.76
Rot. Bonds2

About 1,3-dimethoxy-2-methylidenecyclohexane

1,3-dimethoxy-2-methylidenecyclohexane (PubChem CID 90969283) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methylidenecyclohexane.

Molecular Properties

Compound Name1,3-dimethoxy-2-methylidenecyclohexane
PubChem CID90969283
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name1,3-dimethoxy-2-methylidenecyclohexane
SMILESC=C1C(OC)CCCC1OC
InChIInChI=1S/C9H16O2/c1-7-8(10-2)5-4-6-9(7)11-3/h8-9H,1,4-6H2,2-3H3
InChIKeyJHNWRVRGKCOULE-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 ≤ 500156.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethoxy-2-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
3,5-Dimethoxy-2-methylidenecyclohexan-1-ol
CID 91158347
1,3-Diethoxy-2-methylidenecyclohexane
CID 91306145
2,4-Dimethoxy-1-methylidenecyclohexane
CID 91329046
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 1,3-dimethoxy-2-methylidenecyclohexane?
The IUPAC name of 1,3-dimethoxy-2-methylidenecyclohexane (CID 90969283) is 1,3-dimethoxy-2-methylidenecyclohexane.
What is the SMILES notation for 1,3-dimethoxy-2-methylidenecyclohexane?
The canonical SMILES for 1,3-dimethoxy-2-methylidenecyclohexane is C=C1C(OC)CCCC1OC.
What is the InChIKey of 1,3-dimethoxy-2-methylidenecyclohexane?
The InChIKey is JHNWRVRGKCOULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-8(10-2)5-4-6-9(7)11-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 1,3-dimethoxy-2-methylidenecyclohexane?
1,3-dimethoxy-2-methylidenecyclohexane has a molecular weight of 156.23 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 1,3-dimethoxy-2-methylidenecyclohexane is sourced from PubChem (CID 90969283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).