(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one

C19H34O2Si — CID 101029675

IUPAC(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one
SMILESCC1=C2C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H](CC1)C2(C)C
InChIInChI=1S/C19H34O2Si/c1-13-9-10-15-17(20)12-14(11-16(13)19(15,5)6)21-22(7,8)18(2,3)4/h14-15H,9-12H2,1-8H3/t14-,15+/m0/s1
InChIKeyIORZVEQOOBXHAJ-LSDHHAIUSA-N
MW322.57 g/mol
LogP5.49
Rot. Bonds2

About (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one (PubChem CID 101029675) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one.

Molecular Properties

Compound Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one
PubChem CID101029675
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one
SMILESCC1=C2C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H](CC1)C2(C)C
InChIInChI=1S/C19H34O2Si/c1-13-9-10-15-17(20)12-14(11-16(13)19(15,5)6)21-22(7,8)18(2,3)4/h14-15H,9-12H2,1-8H3/t14-,15+/m0/s1
InChIKeyIORZVEQOOBXHAJ-LSDHHAIUSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.49
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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Related Compounds

(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
cis-(2S,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 15109329
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19385088
4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
[(3aR,4R,7aS)-1,2,3a,7,7,7a-hexamethyl-3,4,5,6-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 15459977
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631
(1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethylbicyclo[4.1.0]heptan-2-one
CID 57088463
(3aR,3bR,5R,9aR,9bS)-5-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3b,4,5,6,8,9,9a,9b-octahydro-as-indaceno[4,5-c]furan-1,3,7-trione
CID 10739168
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
(3aR,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 11086779
tert-butyl-dimethyl-[3,5,5-trimethyl-4-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)cyclohex-3-en-1-yl]oxysilane
CID 135020516

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one?
The IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one (CID 101029675) is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one.
What is the SMILES notation for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one?
The canonical SMILES for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one is CC1=C2C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H](CC1)C2(C)C.
What is the InChIKey of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one?
The InChIKey is IORZVEQOOBXHAJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-13-9-10-15-17(20)12-14(11-16(13)19(15,5)6)21-22(7,8)18(2,3)4/h14-15H,9-12H2,1-8H3/t14-,15+/m0/s1.
What are the key properties of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one?
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one has a molecular weight of 322.57 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7,10,10-trimethylbicyclo[4.3.1]dec-6-en-2-one is sourced from PubChem (CID 101029675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).