(7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione

C14H28O4Si — CID 139792559

IUPAC(7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione
SMILESCC(=O)C(=O)CCC[C@H](O)C(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-10(15)11(16)8-7-9-12(17)13(18)19(5,6)14(2,3)4/h12-13,17-18H,7-9H2,1-6H3/t12-,13?/m0/s1
InChIKeyHNSJCTNOICIQEF-UEWDXFNNSA-N
MW288.46 g/mol
LogP2.08
Rot. Bonds7

About (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione

(7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione (PubChem CID 139792559) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione.

Molecular Properties

Compound Name(7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione
PubChem CID139792559
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione
SMILESCC(=O)C(=O)CCC[C@H](O)C(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-10(15)11(16)8-7-9-12(17)13(18)19(5,6)14(2,3)4/h12-13,17-18H,7-9H2,1-6H3/t12-,13?/m0/s1
InChIKeyHNSJCTNOICIQEF-UEWDXFNNSA-N
XLogP2.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione?
The IUPAC name of (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione (CID 139792559) is (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione.
What is the SMILES notation for (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione?
The canonical SMILES for (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione is CC(=O)C(=O)CCC[C@H](O)C(O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione?
The InChIKey is HNSJCTNOICIQEF-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10(15)11(16)8-7-9-12(17)13(18)19(5,6)14(2,3)4/h12-13,17-18H,7-9H2,1-6H3/t12-,13?/m0/s1.
What are the key properties of (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione?
(7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione has a molecular weight of 288.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-8-[tert-butyl(dimethyl)silyl]-7,8-dihydroxyoctane-2,3-dione is sourced from PubChem (CID 139792559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).