(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol

C11H24O2Si — CID 53381041

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H24O2Si/c1-8-10(9(2)12)13-14(6,7)11(3,4)5/h8-10,12H,1H2,2-7H3/t9-,10-/m1/s1
InChIKeyPWYMJJNHJVBKHD-NXEZZACHSA-N
MW216.40 g/mol
LogP2.94
Rot. Bonds4

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol (PubChem CID 53381041) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
PubChem CID53381041
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H24O2Si/c1-8-10(9(2)12)13-14(6,7)11(3,4)5/h8-10,12H,1H2,2-7H3/t9-,10-/m1/s1
InChIKeyPWYMJJNHJVBKHD-NXEZZACHSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 52.94
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

(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol
CID 71819486
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
CID 10515260
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol (CID 53381041) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol?
The InChIKey is PWYMJJNHJVBKHD-NXEZZACHSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-8-10(9(2)12)13-14(6,7)11(3,4)5/h8-10,12H,1H2,2-7H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol has a molecular weight of 216.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol is sourced from PubChem (CID 53381041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).