(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one

C19H38O4Si — CID 153499438

IUPAC(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one
SMILESCCC[C@@H](CCCC(=O)CCC1OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-7-9-17(23-24(5,6)19(2,3)4)11-8-10-16(20)12-13-18-21-14-15-22-18/h17-18H,7-15H2,1-6H3/t17-/m0/s1
InChIKeyLMZMTYMNAUDRKV-KRWDZBQOSA-N
MW358.60 g/mol
LogP5.07
Rot. Bonds11

About (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one

(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one (PubChem CID 153499438) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one.

Molecular Properties

Compound Name(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one
PubChem CID153499438
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one
SMILESCCC[C@@H](CCCC(=O)CCC1OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-7-9-17(23-24(5,6)19(2,3)4)11-8-10-16(20)12-13-18-21-14-15-22-18/h17-18H,7-15H2,1-6H3/t17-/m0/s1
InChIKeyLMZMTYMNAUDRKV-KRWDZBQOSA-N
XLogP5.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one?
The IUPAC name of (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one (CID 153499438) is (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one.
What is the SMILES notation for (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one?
The canonical SMILES for (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one is CCC[C@@H](CCCC(=O)CCC1OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one?
The InChIKey is LMZMTYMNAUDRKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-7-9-17(23-24(5,6)19(2,3)4)11-8-10-16(20)12-13-18-21-14-15-22-18/h17-18H,7-15H2,1-6H3/t17-/m0/s1.
What are the key properties of (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one?
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one has a molecular weight of 358.60 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one is sourced from PubChem (CID 153499438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).