1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone

C15H26O2 — CID 59012708

IUPAC1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone
SMILESCC(=O)C1C2C(C)(CC(C)C2(C)C)OC1(C)C
InChIInChI=1S/C15H26O2/c1-9-8-15(7)12(13(9,3)4)11(10(2)16)14(5,6)17-15/h9,11-12H,8H2,1-7H3
InChIKeyAAYYZVKMCQSDKG-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.44
Rot. Bonds1

About 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone

1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone (PubChem CID 59012708) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone
PubChem CID59012708
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone
SMILESCC(=O)C1C2C(C)(CC(C)C2(C)C)OC1(C)C
InChIInChI=1S/C15H26O2/c1-9-8-15(7)12(13(9,3)4)11(10(2)16)14(5,6)17-15/h9,11-12H,8H2,1-7H3
InChIKeyAAYYZVKMCQSDKG-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone?
The IUPAC name of 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone (CID 59012708) is 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone.
What is the SMILES notation for 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone?
The canonical SMILES for 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone is CC(=O)C1C2C(C)(CC(C)C2(C)C)OC1(C)C.
What is the InChIKey of 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone?
The InChIKey is AAYYZVKMCQSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-9-8-15(7)12(13(9,3)4)11(10(2)16)14(5,6)17-15/h9,11-12H,8H2,1-7H3.
What are the key properties of 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone?
1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,4,5,6a-hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone is sourced from PubChem (CID 59012708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).