(3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one

C19H32O3Si — CID 10925747

IUPAC(3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one
SMILESCC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@@H](O)[C@@H]2C(=O)C12CC2
InChIInChI=1S/C19H32O3Si/c1-13-11-18(12-22-23(5,6)17(2,3)4)8-7-14(20)15(18)16(21)19(13)9-10-19/h11,14-15,20H,7-10,12H2,1-6H3/t14-,15-,18+/m1/s1
InChIKeyZSNPKTVQSMWIDY-RKVPGOIHSA-N
MW336.55 g/mol
LogP4.07
Rot. Bonds3

About (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one

(3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one (PubChem CID 10925747) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name(3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one
PubChem CID10925747
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name(3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one
SMILESCC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@@H](O)[C@@H]2C(=O)C12CC2
InChIInChI=1S/C19H32O3Si/c1-13-11-18(12-22-23(5,6)17(2,3)4)8-7-14(20)15(18)16(21)19(13)9-10-19/h11,14-15,20H,7-10,12H2,1-6H3/t14-,15-,18+/m1/s1
InChIKeyZSNPKTVQSMWIDY-RKVPGOIHSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-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

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one?
The IUPAC name of (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one (CID 10925747) is (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one.
What is the SMILES notation for (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one?
The canonical SMILES for (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one is CC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@@H](O)[C@@H]2C(=O)C12CC2.
What is the InChIKey of (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one?
The InChIKey is ZSNPKTVQSMWIDY-RKVPGOIHSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-13-11-18(12-22-23(5,6)17(2,3)4)8-7-14(20)15(18)16(21)19(13)9-10-19/h11,14-15,20H,7-10,12H2,1-6H3/t14-,15-,18+/m1/s1.
What are the key properties of (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one?
(3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one has a molecular weight of 336.55 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one is sourced from PubChem (CID 10925747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).