(4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one

C21H38O2Si — CID 142416102

IUPAC(4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
SMILESC=C(C)[C@H]1CC[C@H](CO[Si](C)(C)C(C)(C)C)C2(CCC(=O)[C@@H]2C)C1
InChIInChI=1S/C21H38O2Si/c1-15(2)17-9-10-18(14-23-24(7,8)20(4,5)6)21(13-17)12-11-19(22)16(21)3/h16-18H,1,9-14H2,2-8H3/t16-,17-,18+,21?/m0/s1
InChIKeyZRKWKKNSOUMLSP-NANJZHHASA-N
MW350.62 g/mol
LogP5.99
Rot. Bonds4

About (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one

(4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one (PubChem CID 142416102) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
PubChem CID142416102
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
SMILESC=C(C)[C@H]1CC[C@H](CO[Si](C)(C)C(C)(C)C)C2(CCC(=O)[C@@H]2C)C1
InChIInChI=1S/C21H38O2Si/c1-15(2)17-9-10-18(14-23-24(7,8)20(4,5)6)21(13-17)12-11-19(22)16(21)3/h16-18H,1,9-14H2,2-8H3/t16-,17-,18+,21?/m0/s1
InChIKeyZRKWKKNSOUMLSP-NANJZHHASA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one?
The IUPAC name of (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one (CID 142416102) is (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one.
What is the SMILES notation for (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one?
The canonical SMILES for (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one is C=C(C)[C@H]1CC[C@H](CO[Si](C)(C)C(C)(C)C)C2(CCC(=O)[C@@H]2C)C1.
What is the InChIKey of (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one?
The InChIKey is ZRKWKKNSOUMLSP-NANJZHHASA-N. The full InChI is InChI=1S/C21H38O2Si/c1-15(2)17-9-10-18(14-23-24(7,8)20(4,5)6)21(13-17)12-11-19(22)16(21)3/h16-18H,1,9-14H2,2-8H3/t16-,17-,18+,21?/m0/s1.
What are the key properties of (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one?
(4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one has a molecular weight of 350.62 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one is sourced from PubChem (CID 142416102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).