(2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one

C15H24O2 — CID 24879817

IUPAC(2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
SMILESC[C@H]1COC(=O)[C@@]12C[C@H]1CCC[C@H](C)[C@@]1(C)C2
InChIInChI=1S/C15H24O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,14+,15+/m0/s1
InChIKeyDPAXRTBRARRDNS-CWFCOSEVSA-N
MW236.35 g/mol
LogP3.40
Rot. Bonds

About (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one

(2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one (PubChem CID 24879817) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one.

Molecular Properties

Compound Name(2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
PubChem CID24879817
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
SMILESC[C@H]1COC(=O)[C@@]12C[C@H]1CCC[C@H](C)[C@@]1(C)C2
InChIInChI=1S/C15H24O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,14+,15+/m0/s1
InChIKeyDPAXRTBRARRDNS-CWFCOSEVSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one 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 (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one?
The IUPAC name of (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one (CID 24879817) is (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one.
What is the SMILES notation for (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one?
The canonical SMILES for (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one is C[C@H]1COC(=O)[C@@]12C[C@H]1CCC[C@H](C)[C@@]1(C)C2.
What is the InChIKey of (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one?
The InChIKey is DPAXRTBRARRDNS-CWFCOSEVSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,14+,15+/m0/s1.
What are the key properties of (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one?
(2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one has a molecular weight of 236.35 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one is sourced from PubChem (CID 24879817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).