6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

C12H22O2 — CID 69080471

IUPAC6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCCCCCOC12CCCC1CCO2
InChIInChI=1S/C12H22O2/c1-2-3-4-9-13-12-8-5-6-11(12)7-10-14-12/h11H,2-10H2,1H3
InChIKeyGEGNTOGUBOUBCU-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds5

About 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (PubChem CID 69080471) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
PubChem CID69080471
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCCCCCOC12CCCC1CCO2
InChIInChI=1S/C12H22O2/c1-2-3-4-9-13-12-8-5-6-11(12)7-10-14-12/h11H,2-10H2,1H3
InChIKeyGEGNTOGUBOUBCU-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The IUPAC name of 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (CID 69080471) is 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The canonical SMILES for 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is CCCCCOC12CCCC1CCO2.
What is the InChIKey of 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The InChIKey is GEGNTOGUBOUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-9-13-12-8-5-6-11(12)7-10-14-12/h11H,2-10H2,1H3.
What are the key properties of 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan has a molecular weight of 198.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 69080471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).