8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one

C19H38O5Si — CID 10317308

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
SMILESCC1(C)OCC(CC(O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O5Si/c1-18(2,3)25(6,7)23-11-9-8-10-15(20)12-16(21)13-17-14-22-19(4,5)24-17/h16-17,21H,8-14H2,1-7H3
InChIKeyKDEMYNJTGIVCCK-UHFFFAOYSA-N
MW374.59 g/mol
LogP4.04
Rot. Bonds10

About 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one

8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one (PubChem CID 10317308) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
PubChem CID10317308
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
SMILESCC1(C)OCC(CC(O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O5Si/c1-18(2,3)25(6,7)23-11-9-8-10-15(20)12-16(21)13-17-14-22-19(4,5)24-17/h16-17,21H,8-14H2,1-7H3
InChIKeyKDEMYNJTGIVCCK-UHFFFAOYSA-N
XLogP4.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one (CID 10317308) is 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one is CC1(C)OCC(CC(O)CC(=O)CCCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one?
The InChIKey is KDEMYNJTGIVCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-18(2,3)25(6,7)23-11-9-8-10-15(20)12-16(21)13-17-14-22-19(4,5)24-17/h16-17,21H,8-14H2,1-7H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one?
8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one has a molecular weight of 374.59 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one is sourced from PubChem (CID 10317308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).