(3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one

C15H24O3 — CID 135021706

IUPAC(3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one
SMILESC[C@@H]1C(=O)CC[C@@]2(C)CC3(OCCO3)C(C)(C)[C@@H]12
InChIInChI=1S/C15H24O3/c1-10-11(16)5-6-14(4)9-15(17-7-8-18-15)13(2,3)12(10)14/h10,12H,5-9H2,1-4H3/t10-,12-,14+/m1/s1
InChIKeyUALSDNVNIOAKRE-QKCSRTOESA-N
MW252.35 g/mol
LogP2.78
Rot. Bonds

About (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one

(3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one (PubChem CID 135021706) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one.

Molecular Properties

Compound Name(3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one
PubChem CID135021706
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one
SMILESC[C@@H]1C(=O)CC[C@@]2(C)CC3(OCCO3)C(C)(C)[C@@H]12
InChIInChI=1S/C15H24O3/c1-10-11(16)5-6-14(4)9-15(17-7-8-18-15)13(2,3)12(10)14/h10,12H,5-9H2,1-4H3/t10-,12-,14+/m1/s1
InChIKeyUALSDNVNIOAKRE-QKCSRTOESA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-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 (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one?
The IUPAC name of (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one (CID 135021706) is (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one.
What is the SMILES notation for (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one?
The canonical SMILES for (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one is C[C@@H]1C(=O)CC[C@@]2(C)CC3(OCCO3)C(C)(C)[C@@H]12.
What is the InChIKey of (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one?
The InChIKey is UALSDNVNIOAKRE-QKCSRTOESA-N. The full InChI is InChI=1S/C15H24O3/c1-10-11(16)5-6-14(4)9-15(17-7-8-18-15)13(2,3)12(10)14/h10,12H,5-9H2,1-4H3/t10-,12-,14+/m1/s1.
What are the key properties of (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one?
(3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one has a molecular weight of 252.35 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aS,4'S,7'aS)-3',3',4',7'a-tetramethylspiro[1,3-dioxolane-2,2'-3a,4,6,7-tetrahydro-1H-indene]-5'-one is sourced from PubChem (CID 135021706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).