4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

C11H20O — CID 20743823

IUPAC4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCCC1CC(CC)C2COCC12
InChIInChI=1S/C11H20O/c1-3-8-5-9(4-2)11-7-12-6-10(8)11/h8-11H,3-7H2,1-2H3
InChIKeyIIHHJIAIPDEJSN-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.71
Rot. Bonds2

About 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 20743823) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID20743823
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCCC1CC(CC)C2COCC12
InChIInChI=1S/C11H20O/c1-3-8-5-9(4-2)11-7-12-6-10(8)11/h8-11H,3-7H2,1-2H3
InChIKeyIIHHJIAIPDEJSN-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 20743823) is 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is CCC1CC(CC)C2COCC12.
What is the InChIKey of 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is IIHHJIAIPDEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-8-5-9(4-2)11-7-12-6-10(8)11/h8-11H,3-7H2,1-2H3.
What are the key properties of 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 168.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 20743823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).