2-(dimethoxymethyl)cyclohexa-1,3-diene

C9H14O2 — CID 135045565

IUPAC2-(dimethoxymethyl)cyclohexa-1,3-diene
SMILESCOC(OC)C1=CCCC=C1
InChIInChI=1S/C9H14O2/c1-10-9(11-2)8-6-4-3-5-7-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyCIKDOYCBUMYKDI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds3

About 2-(dimethoxymethyl)cyclohexa-1,3-diene

2-(dimethoxymethyl)cyclohexa-1,3-diene (PubChem CID 135045565) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(dimethoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(dimethoxymethyl)cyclohexa-1,3-diene
PubChem CID135045565
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(dimethoxymethyl)cyclohexa-1,3-diene
SMILESCOC(OC)C1=CCCC=C1
InChIInChI=1S/C9H14O2/c1-10-9(11-2)8-6-4-3-5-7-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyCIKDOYCBUMYKDI-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(dimethoxymethyl)cyclohexa-1,3-diene 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

4-(Benzaldehyde diethylacetal)magnesium bromide
CID 12882175
5,6,6-Trimethoxy-2-prop-2-enylcyclohexa-1,3-diene
CID 163192813
4-(Dimethoxymethyl)phenylmagnesium bromide
CID 11265320
1,1-Dimethoxybenzene
CID 18445625
2-(1,1-Dimethoxyethyl)cyclohexa-1,3-diene
CID 70338625
3-(Diethoxymethyl)phenylmagnesium bromide, 1.0 M in THF
CID 71310873
(3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene
CID 90274331
Furfural acetal
CID 91748868
(2e,4e)-1,1-Dimethoxy-2,4-deca-diene
CID 15462279
2-(Diethoxymethyl)phenylmagnesium bromide
CID 71310959
o-(Butoxymethoxymethyl)phenylmagnesium bromide
CID 129804364
(2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene
CID 134839729

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(dimethoxymethyl)cyclohexa-1,3-diene (CID 135045565) is 2-(dimethoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(dimethoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(dimethoxymethyl)cyclohexa-1,3-diene is COC(OC)C1=CCCC=C1.
What is the InChIKey of 2-(dimethoxymethyl)cyclohexa-1,3-diene?
The InChIKey is CIKDOYCBUMYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-10-9(11-2)8-6-4-3-5-7-8/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of 2-(dimethoxymethyl)cyclohexa-1,3-diene?
2-(dimethoxymethyl)cyclohexa-1,3-diene has a molecular weight of 154.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 135045565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).