2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan

C12H22O — CID 68733861

IUPAC2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
SMILESCCC1CC2CCC(C)(C)C2(C)O1
InChIInChI=1S/C12H22O/c1-5-10-8-9-6-7-11(2,3)12(9,4)13-10/h9-10H,5-8H2,1-4H3
InChIKeyMPIOGBPJPDUQAZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds1

About 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan

2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 68733861) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
PubChem CID68733861
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
SMILESCCC1CC2CCC(C)(C)C2(C)O1
InChIInChI=1S/C12H22O/c1-5-10-8-9-6-7-11(2,3)12(9,4)13-10/h9-10H,5-8H2,1-4H3
InChIKeyMPIOGBPJPDUQAZ-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan (CID 68733861) is 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan is CCC1CC2CCC(C)(C)C2(C)O1.
What is the InChIKey of 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is MPIOGBPJPDUQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-10-8-9-6-7-11(2,3)12(9,4)13-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 182.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 68733861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).