(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol

C13H28O3Si — CID 10587455

IUPAC(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol
SMILESC=C(C)[C@H](CO)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(2)11(8-14)12(15)9-16-17(6,7)13(3,4)5/h11-12,14-15H,1,8-9H2,2-7H3/t11-,12+/m0/s1
InChIKeyFUNBCSHGZZXCKZ-NWDGAFQWSA-N
MW260.45 g/mol
LogP2.55
Rot. Bonds6

About (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol

(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol (PubChem CID 10587455) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol.

Molecular Properties

Compound Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol
PubChem CID10587455
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol
SMILESC=C(C)[C@H](CO)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(2)11(8-14)12(15)9-16-17(6,7)13(3,4)5/h11-12,14-15H,1,8-9H2,2-7H3/t11-,12+/m0/s1
InChIKeyFUNBCSHGZZXCKZ-NWDGAFQWSA-N
XLogP2.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
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

(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol
CID 58797956
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 102143532
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol?
The IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol (CID 10587455) is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol.
What is the SMILES notation for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol?
The canonical SMILES for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol is C=C(C)[C@H](CO)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol?
The InChIKey is FUNBCSHGZZXCKZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(2)11(8-14)12(15)9-16-17(6,7)13(3,4)5/h11-12,14-15H,1,8-9H2,2-7H3/t11-,12+/m0/s1.
What are the key properties of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol?
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol has a molecular weight of 260.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol is sourced from PubChem (CID 10587455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).