(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol

C16H32O4Si — CID 173467879

IUPAC(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol
SMILESCC=C[C@H]1OC(C)(C)O[C@H]1[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-9-10-13-14(20-16(5,6)19-13)12(17)11-18-21(7,8)15(2,3)4/h9-10,12-14,17H,11H2,1-8H3/t12-,13+,14-/m0/s1
InChIKeyWVFCSANGMVODGK-MJBXVCDLSA-N
MW316.51 g/mol
LogP3.47
Rot. Bonds5

About (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol

(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 173467879) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol
PubChem CID173467879
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol
SMILESCC=C[C@H]1OC(C)(C)O[C@H]1[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-9-10-13-14(20-16(5,6)19-13)12(17)11-18-21(7,8)15(2,3)4/h9-10,12-14,17H,11H2,1-8H3/t12-,13+,14-/m0/s1
InChIKeyWVFCSANGMVODGK-MJBXVCDLSA-N
XLogP3.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol (CID 173467879) is (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol is CC=C[C@H]1OC(C)(C)O[C@H]1[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is WVFCSANGMVODGK-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-9-10-13-14(20-16(5,6)19-13)12(17)11-18-21(7,8)15(2,3)4/h9-10,12-14,17H,11H2,1-8H3/t12-,13+,14-/m0/s1.
What are the key properties of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol?
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 316.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 173467879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).