(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one

C19H38O2Si — CID 11313407

IUPAC(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one
SMILESCC(=O)CC[C@@](C)(CCC=C(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-16(2)11-10-13-19(7,14-12-17(3)20)15-21-22(8,9)18(4,5)6/h11H,10,12-15H2,1-9H3/t19-/m1/s1
InChIKeyAHTQVJBKOMFGLV-LJQANCHMSA-N
MW326.60 g/mol
LogP6.13
Rot. Bonds9

About (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one

(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one (PubChem CID 11313407) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one.

Molecular Properties

Compound Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one
PubChem CID11313407
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one
SMILESCC(=O)CC[C@@](C)(CCC=C(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-16(2)11-10-13-19(7,14-12-17(3)20)15-21-22(8,9)18(4,5)6/h11H,10,12-15H2,1-9H3/t19-/m1/s1
InChIKeyAHTQVJBKOMFGLV-LJQANCHMSA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.13
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

(1R,3E,7E,11R)-4,8-dimethyl-13-tri(propan-2-yl)silyloxybicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 11697685
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
3-[(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-enyl]cyclohexan-1-one
CID 101625783
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
(1S,3E,7E,11R)-13-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylbicyclo[9.4.0]pentadeca-3,7,13-triene-1-carbaldehyde
CID 135086555
4-(3-((Tert-butyldimethylsilyl)oxy)propyl)-4-(3-methylbut-2-en-1-yl)cyclohex-2-en-1-one
CID 162786833
(E,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyltridec-7-en-2-one
CID 164683021
(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-en-2-one
CID 11014696
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4,4-dimethylcyclohex-2-en-1-one
CID 11335057
(2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyloctyl]-2-hepta-3,4-dienylcyclopent-3-en-1-one
CID 57200192
1-[4-[Tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one
CID 66857618
1-[Tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
CID 91518681

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one?
The IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one (CID 11313407) is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one.
What is the SMILES notation for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one?
The canonical SMILES for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one is CC(=O)CC[C@@](C)(CCC=C(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one?
The InChIKey is AHTQVJBKOMFGLV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-16(2)11-10-13-19(7,14-12-17(3)20)15-21-22(8,9)18(4,5)6/h11H,10,12-15H2,1-9H3/t19-/m1/s1.
What are the key properties of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one?
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one has a molecular weight of 326.60 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one is sourced from PubChem (CID 11313407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).