2-(dimethoxymethyl)cyclohex-2-en-1-one

C9H14O3 — CID 130030381

IUPAC2-(dimethoxymethyl)cyclohex-2-en-1-one
SMILESCOC(OC)C1=CCCCC1=O
InChIInChI=1S/C9H14O3/c1-11-9(12-2)7-5-3-4-6-8(7)10/h5,9H,3-4,6H2,1-2H3
InChIKeyMOTCYNWYUHMLGR-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds3

About 2-(dimethoxymethyl)cyclohex-2-en-1-one

2-(dimethoxymethyl)cyclohex-2-en-1-one (PubChem CID 130030381) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(dimethoxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)cyclohex-2-en-1-one
PubChem CID130030381
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(dimethoxymethyl)cyclohex-2-en-1-one
SMILESCOC(OC)C1=CCCCC1=O
InChIInChI=1S/C9H14O3/c1-11-9(12-2)7-5-3-4-6-8(7)10/h5,9H,3-4,6H2,1-2H3
InChIKeyMOTCYNWYUHMLGR-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one
CID 10856130
2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one
CID 134978023
2-[hydroxy(phenyl)methyl]cyclohex-2-en-1-one
CID 11074449
2-[(4,5-dimethoxy-2-nitrophenyl)-hydroxymethyl]cyclohex-2-en-1-one
CID 101357889
CID 19021835
CID 19021835
2-chlorocyclohex-2-en-1-one
CID 10866369
2-[(R)-(2,4-dichlorophenyl)-hydroxymethyl]cyclohex-2-en-1-one
CID 135057139
(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364
2-(ditert-butylamino)cyclohex-2-en-1-one
CID 59979799
2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one
CID 130518104
2-(4-methoxybenzoyl)cyclohex-2-en-1-one
CID 142780960
(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one
CID 101475135

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(dimethoxymethyl)cyclohex-2-en-1-one (CID 130030381) is 2-(dimethoxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(dimethoxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(dimethoxymethyl)cyclohex-2-en-1-one is COC(OC)C1=CCCCC1=O.
What is the InChIKey of 2-(dimethoxymethyl)cyclohex-2-en-1-one?
The InChIKey is MOTCYNWYUHMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-9(12-2)7-5-3-4-6-8(7)10/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 2-(dimethoxymethyl)cyclohex-2-en-1-one?
2-(dimethoxymethyl)cyclohex-2-en-1-one has a molecular weight of 170.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 130030381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).