(2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde

C10H16O3 — CID 11041405

IUPAC(2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
SMILESCCO[C@H]1C[C@H]2[C@H](C=O)CC[C@H]2O1
InChIInChI=1S/C10H16O3/c1-2-12-10-5-8-7(6-11)3-4-9(8)13-10/h6-10H,2-5H2,1H3/t7-,8-,9+,10+/m0/s1
InChIKeyJQDGOCYQXYUDJE-AXTSPUMRSA-N
MW184.23 g/mol
LogP1.36
Rot. Bonds3

About (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde

(2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde (PubChem CID 11041405) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde.

Molecular Properties

Compound Name(2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
PubChem CID11041405
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
SMILESCCO[C@H]1C[C@H]2[C@H](C=O)CC[C@H]2O1
InChIInChI=1S/C10H16O3/c1-2-12-10-5-8-7(6-11)3-4-9(8)13-10/h6-10H,2-5H2,1H3/t7-,8-,9+,10+/m0/s1
InChIKeyJQDGOCYQXYUDJE-AXTSPUMRSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,3S,3aS,6R,6aS)-3-methoxy-6-(methoxymethoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-carbaldehyde
CID 11229965
(1S,3S,3aS,6R,6aS)-3-methoxy-6-(methoxymethoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-carbaldehyde
CID 11264708
2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 14015997
methyl 2-(2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate
CID 15081519
9-Pentyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
CID 21511375
(1S,5R,6S)-6-Diethoxymethyl-2-oxabicyclo-[3,3,0]octan-3-one
CID 22813163
methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate
CID 54534587
(2R,3aR,4S,6aS)-2-hydroxy-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 59897424
5-(Methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 89018904
(3aR,4S,5S,6aS)-2,2,4-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-5-carbaldehyde
CID 117943980
2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-carbaldehyde
CID 131973068
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 141278296

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde?
The IUPAC name of (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde (CID 11041405) is (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde.
What is the SMILES notation for (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde?
The canonical SMILES for (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde is CCO[C@H]1C[C@H]2[C@H](C=O)CC[C@H]2O1.
What is the InChIKey of (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde?
The InChIKey is JQDGOCYQXYUDJE-AXTSPUMRSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-12-10-5-8-7(6-11)3-4-9(8)13-10/h6-10H,2-5H2,1H3/t7-,8-,9+,10+/m0/s1.
What are the key properties of (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde?
(2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,4R,6aR)-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde is sourced from PubChem (CID 11041405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).