1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one

C18H36O3Si — CID 134878865

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one
SMILESCC(C)=CCCCC(=O)CC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-15(2)10-8-9-11-16(19)14-17(20)12-13-21-22(6,7)18(3,4)5/h10,17,20H,8-9,11-14H2,1-7H3
InChIKeyFTCQWUZIQFNFJP-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.85
Rot. Bonds10

About 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one

1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one (PubChem CID 134878865) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one
PubChem CID134878865
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one
SMILESCC(C)=CCCCC(=O)CC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-15(2)10-8-9-11-16(19)14-17(20)12-13-21-22(6,7)18(3,4)5/h10,17,20H,8-9,11-14H2,1-7H3
InChIKeyFTCQWUZIQFNFJP-UHFFFAOYSA-N
XLogP4.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 5471931
4-[Tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
CID 20513649
1-[Tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
CID 91518681
3-[Tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoic acid
CID 123474144
(6R,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 401730
1-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxydec-9-en-5-one
CID 11012045
(7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one
CID 72945073
O-TBS Hexadec-9-enoic acid
CID 171380588

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one (CID 134878865) is 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one is CC(C)=CCCCC(=O)CC(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one?
The InChIKey is FTCQWUZIQFNFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-15(2)10-8-9-11-16(19)14-17(20)12-13-21-22(6,7)18(3,4)5/h10,17,20H,8-9,11-14H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one?
1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one has a molecular weight of 328.57 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one is sourced from PubChem (CID 134878865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).