(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol

C12H26O3Si — CID 125487080

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
SMILESC=CCO[C@@H](CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-8-14-11(9-13)10-15-16(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-/m0/s1
InChIKeyAJVOWKBWBMVGRJ-NSHDSACASA-N
MW246.42 g/mol
LogP2.57
Rot. Bonds7

About (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol (PubChem CID 125487080) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
PubChem CID125487080
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
SMILESC=CCO[C@@H](CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-8-14-11(9-13)10-15-16(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-/m0/s1
InChIKeyAJVOWKBWBMVGRJ-NSHDSACASA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol
CID 101489055
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
3-phosphanyl-2-prop-2-enoxypropan-1-ol
CID 118258288
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
tert-butyl-dimethyl-prop-2-enoxysilane;trimethyl(prop-2-enoxy)silane
CID 87853444
(2S,3Z,6S)-1-[tert-butyl(dimethyl)silyl]oxyocta-3,7-diene-2,6-diol
CID 10540140
tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol (CID 125487080) is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol is C=CCO[C@@H](CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol?
The InChIKey is AJVOWKBWBMVGRJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H26O3Si/c1-7-8-14-11(9-13)10-15-16(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-/m0/s1.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol?
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol has a molecular weight of 246.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol is sourced from PubChem (CID 125487080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).