(4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one

C14H26O5Si — CID 173208042

IUPAC(4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one
SMILESC[SiH](C)OC([C@H]1OC(=O)C[C@@H]1C1OCCO1)C(C)(C)C
InChIInChI=1S/C14H26O5Si/c1-14(2,3)12(19-20(4)5)11-9(8-10(15)18-11)13-16-6-7-17-13/h9,11-13,20H,6-8H2,1-5H3/t9-,11-,12?/m0/s1
InChIKeyCAGQDYLSFXVNBI-HFLPBZFISA-N
MW302.44 g/mol
LogP1.71
Rot. Bonds4

About (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one

(4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one (PubChem CID 173208042) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one
PubChem CID173208042
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one
SMILESC[SiH](C)OC([C@H]1OC(=O)C[C@@H]1C1OCCO1)C(C)(C)C
InChIInChI=1S/C14H26O5Si/c1-14(2,3)12(19-20(4)5)11-9(8-10(15)18-11)13-16-6-7-17-13/h9,11-13,20H,6-8H2,1-5H3/t9-,11-,12?/m0/s1
InChIKeyCAGQDYLSFXVNBI-HFLPBZFISA-N
XLogP1.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The IUPAC name of (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one (CID 173208042) is (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The canonical SMILES for (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one is C[SiH](C)OC([C@H]1OC(=O)C[C@@H]1C1OCCO1)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one?
The InChIKey is CAGQDYLSFXVNBI-HFLPBZFISA-N. The full InChI is InChI=1S/C14H26O5Si/c1-14(2,3)12(19-20(4)5)11-9(8-10(15)18-11)13-16-6-7-17-13/h9,11-13,20H,6-8H2,1-5H3/t9-,11-,12?/m0/s1.
What are the key properties of (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one?
(4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one has a molecular weight of 302.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one is sourced from PubChem (CID 173208042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).