2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde

C9H14O3 — CID 14015997

IUPAC2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
SMILESCOC1CC2C(C=O)CCC2O1
InChIInChI=1S/C9H14O3/c1-11-9-4-7-6(5-10)2-3-8(7)12-9/h5-9H,2-4H2,1H3
InChIKeyZQUREVKMEDDHAK-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.97
Rot. Bonds2

About 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde

2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde (PubChem CID 14015997) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
PubChem CID14015997
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
SMILESCOC1CC2C(C=O)CCC2O1
InChIInChI=1S/C9H14O3/c1-11-9-4-7-6(5-10)2-3-8(7)12-9/h5-9H,2-4H2,1H3
InChIKeyZQUREVKMEDDHAK-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde 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

(2S,3S,5R)-5-methoxy-2-methyloxolane-3-carbaldehyde
CID 93496295
(2S,5R)-2-methoxy-5-[(2R,5S)-5-methoxyoxolan-2-yl]oxolane
CID 71424305
(2R,3aR,6aS)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4,5-diol
CID 10511417
(1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one
CID 102572723
(4aS,6R)-2-methoxy-4,6-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 144658267
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
2-fluoro-4-methoxycyclohexane-1-carbaldehyde
CID 89112696
methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
CID 142164429
2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 88851779
methyl 2-formylcyclobutane-1-carboxylate
CID 12721333
cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate
CID 93496244
1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene-5-carbaldehyde
CID 89125684

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde?
The IUPAC name of 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde (CID 14015997) is 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde?
The canonical SMILES for 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde is COC1CC2C(C=O)CCC2O1.
What is the InChIKey of 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde?
The InChIKey is ZQUREVKMEDDHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-9-4-7-6(5-10)2-3-8(7)12-9/h5-9H,2-4H2,1H3.
What are the key properties of 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde?
2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde is sourced from PubChem (CID 14015997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).