3-(dimethoxymethyl)cyclopentene

C8H14O2 — CID 12723451

IUPAC3-(dimethoxymethyl)cyclopentene
SMILESCOC(OC)C1C=CCC1
InChIInChI=1S/C8H14O2/c1-9-8(10-2)7-5-3-4-6-7/h3,5,7-8H,4,6H2,1-2H3
InChIKeyYSGNFHRIKKHGRE-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds3

About 3-(dimethoxymethyl)cyclopentene

3-(dimethoxymethyl)cyclopentene (PubChem CID 12723451) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(dimethoxymethyl)cyclopentene.

Molecular Properties

Compound Name3-(dimethoxymethyl)cyclopentene
PubChem CID12723451
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(dimethoxymethyl)cyclopentene
SMILESCOC(OC)C1C=CCC1
InChIInChI=1S/C8H14O2/c1-9-8(10-2)7-5-3-4-6-7/h3,5,7-8H,4,6H2,1-2H3
InChIKeyYSGNFHRIKKHGRE-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-cyclopent-2-en-1-yl]methanediol
CID 134407008
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
methyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate
CID 10105166
methyl 2-cyclopent-2-en-1-yl-2-phenylacetate
CID 10775105
[(1S)-1-[(1S)-cyclopent-2-en-1-yl]propoxy]-tri(propan-2-yl)silane
CID 11403319
(2S)-2-cyclopent-2-en-1-yl-2-hydroxyacetic acid
CID 70607167
(2S)-2-cyclopent-2-en-1-yl-2-methylsulfonyloxyacetic acid
CID 88796081
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
CID 134897656
3-(dimethoxymethyl)-1-methylcyclohexene
CID 24977288
methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate
CID 11137554
(3S)-3-methylcyclopentene
CID 11018803

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)cyclopentene?
The IUPAC name of 3-(dimethoxymethyl)cyclopentene (CID 12723451) is 3-(dimethoxymethyl)cyclopentene.
What is the SMILES notation for 3-(dimethoxymethyl)cyclopentene?
The canonical SMILES for 3-(dimethoxymethyl)cyclopentene is COC(OC)C1C=CCC1.
What is the InChIKey of 3-(dimethoxymethyl)cyclopentene?
The InChIKey is YSGNFHRIKKHGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-9-8(10-2)7-5-3-4-6-7/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 3-(dimethoxymethyl)cyclopentene?
3-(dimethoxymethyl)cyclopentene has a molecular weight of 142.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)cyclopentene is sourced from PubChem (CID 12723451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).