(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol

C12H26O2Si — CID 11458884

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol
SMILESC=C(C)C[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(2)8-11(13)9-14-15(6,7)12(3,4)5/h11,13H,1,8-9H2,2-7H3/t11-/m1/s1
InChIKeySGIGCUYITODUAH-LLVKDONJSA-N
MW230.42 g/mol
LogP3.34
Rot. Bonds5

About (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol (PubChem CID 11458884) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol
PubChem CID11458884
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol
SMILESC=C(C)C[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(2)8-11(13)9-14-15(6,7)12(3,4)5/h11,13H,1,8-9H2,2-7H3/t11-/m1/s1
InChIKeySGIGCUYITODUAH-LLVKDONJSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
5-[Tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol
CID 56849812
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-en-2-ol
CID 138985053
(2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol
CID 10877610
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
3-(Trimethylsilylmethyl)but-3-ene-1,2-diol
CID 12022124
(2S)-4-trimethylsilylpent-4-ene-1,2-diol
CID 5325539
5-(Trimethylsilylmethyl)hex-5-en-2-ol
CID 11030538
(2R)-2-triethylsilyloxypent-4-en-1-ol
CID 11378941
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol
CID 11413584

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol (CID 11458884) is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol is C=C(C)C[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol?
The InChIKey is SGIGCUYITODUAH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(2)8-11(13)9-14-15(6,7)12(3,4)5/h11,13H,1,8-9H2,2-7H3/t11-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol?
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol has a molecular weight of 230.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol is sourced from PubChem (CID 11458884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).