4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol

C11H18O3 — CID 163830358

IUPAC4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol
SMILESCCOC(C)C1=CCC2COC(O)C12
InChIInChI=1S/C11H18O3/c1-3-13-7(2)9-5-4-8-6-14-11(12)10(8)9/h5,7-8,10-12H,3-4,6H2,1-2H3
InChIKeyODDUOJLZVWHOGQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.32
Rot. Bonds3

About 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol

4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol (PubChem CID 163830358) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol
PubChem CID163830358
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol
SMILESCCOC(C)C1=CCC2COC(O)C12
InChIInChI=1S/C11H18O3/c1-3-13-7(2)9-5-4-8-6-14-11(12)10(8)9/h5,7-8,10-12H,3-4,6H2,1-2H3
InChIKeyODDUOJLZVWHOGQ-UHFFFAOYSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol?
The IUPAC name of 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol (CID 163830358) is 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol.
What is the SMILES notation for 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol?
The canonical SMILES for 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol is CCOC(C)C1=CCC2COC(O)C12.
What is the InChIKey of 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol?
The InChIKey is ODDUOJLZVWHOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-13-7(2)9-5-4-8-6-14-11(12)10(8)9/h5,7-8,10-12H,3-4,6H2,1-2H3.
What are the key properties of 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol?
4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol has a molecular weight of 198.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol is sourced from PubChem (CID 163830358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).