(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one

C11H16O2 — CID 10888521

IUPAC(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
SMILESCC1=C(C(C)C)[C@@H]2COC[C@@H]2C1=O
InChIInChI=1S/C11H16O2/c1-6(2)10-7(3)11(12)9-5-13-4-8(9)10/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyXQFACYXVOIWFCA-BDAKNGLRSA-N
MW180.25 g/mol
LogP1.80
Rot. Bonds1

About (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one

(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one (PubChem CID 10888521) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one.

Molecular Properties

Compound Name(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
PubChem CID10888521
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
SMILESCC1=C(C(C)C)[C@@H]2COC[C@@H]2C1=O
InChIInChI=1S/C11H16O2/c1-6(2)10-7(3)11(12)9-5-13-4-8(9)10/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyXQFACYXVOIWFCA-BDAKNGLRSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(1Z,3R,11S)-2-methyl-5-oxatricyclo[9.3.0.03,7]tetradec-1-en-9-one
CID 139250218
(15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one
CID 166441852
5,6-Dimethyl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
CID 78063831
(1Z,3R,7S,11S)-2-methyl-5-oxatricyclo[9.3.0.03,7]tetradec-1-en-9-one
CID 101519731
4-Butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11355850
5-pentyl-1,3,3a,6a-tetrahydro-4H-cyclopenta[c]furan-4-one
CID 13540146
7,8-Di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one
CID 155411802
8-Ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
CID 155412494
Ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
CID 155742438
7-Ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
CID 155742446
(3aS,6aR)-5-methyl-6-propan-2-yl-3a,6a-dihydro-1H-cyclopenta[c]furan-3,4-dione
CID 10954432
3-(2-ethoxyethyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 11745528

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one?
The IUPAC name of (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one (CID 10888521) is (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one.
What is the SMILES notation for (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one?
The canonical SMILES for (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one is CC1=C(C(C)C)[C@@H]2COC[C@@H]2C1=O.
What is the InChIKey of (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one?
The InChIKey is XQFACYXVOIWFCA-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16O2/c1-6(2)10-7(3)11(12)9-5-13-4-8(9)10/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one?
(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one is sourced from PubChem (CID 10888521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).