(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol

C11H24O2Si — CID 11127690

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

About (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol

(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol (PubChem CID 11127690) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
PubChem CID11127690
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
SMILESC=C[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-10,12H,1H2,2-7H3/t9-,10+/m1/s1
InChIKeyDMWZEJDYHADRTB-ZJUUUORDSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol?
The IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol (CID 11127690) is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol.
What is the SMILES notation for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol?
The canonical SMILES for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol is C=C[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol?
The InChIKey is DMWZEJDYHADRTB-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-10,12H,1H2,2-7H3/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol?
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-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 (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol is sourced from PubChem (CID 11127690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).