(3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate

C17H24O4 — CID 73071624

IUPAC(3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate
SMILESCC(=O)OC1CC2C(C=C(C)CCC=C1C)OC(=O)C2C
InChIInChI=1S/C17H24O4/c1-10-6-5-7-11(2)15(20-13(4)18)9-14-12(3)17(19)21-16(14)8-10/h7-8,12,14-16H,5-6,9H2,1-4H3
InChIKeyALAJEHHXYIGXNY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.17
Rot. Bonds1

About (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate

(3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate (PubChem CID 73071624) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate.

Molecular Properties

Compound Name(3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate
PubChem CID73071624
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate
SMILESCC(=O)OC1CC2C(C=C(C)CCC=C1C)OC(=O)C2C
InChIInChI=1S/C17H24O4/c1-10-6-5-7-11(2)15(20-13(4)18)9-14-12(3)17(19)21-16(14)8-10/h7-8,12,14-16H,5-6,9H2,1-4H3
InChIKeyALAJEHHXYIGXNY-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate 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 (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate?
The IUPAC name of (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate (CID 73071624) is (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate.
What is the SMILES notation for (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate?
The canonical SMILES for (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate is CC(=O)OC1CC2C(C=C(C)CCC=C1C)OC(=O)C2C.
What is the InChIKey of (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate?
The InChIKey is ALAJEHHXYIGXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-10-6-5-7-11(2)15(20-13(4)18)9-14-12(3)17(19)21-16(14)8-10/h7-8,12,14-16H,5-6,9H2,1-4H3.
What are the key properties of (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate?
(3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate has a molecular weight of 292.38 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl) acetate is sourced from PubChem (CID 73071624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).