(4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one

C11H22O2Si — CID 91696683

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
SMILESC=CC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-9H,1H2,2-7H3/t9-/m1/s1
InChIKeyHXDUOOPPZPBNID-SECBINFHSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds4

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

(4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one (PubChem CID 91696683) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
PubChem CID91696683
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
SMILESC=CC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-9H,1H2,2-7H3/t9-/m1/s1
InChIKeyHXDUOOPPZPBNID-SECBINFHSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one (CID 91696683) is (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one is C=CC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one?
The InChIKey is HXDUOOPPZPBNID-SECBINFHSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-9H,1H2,2-7H3/t9-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one has a molecular weight of 214.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one is sourced from PubChem (CID 91696683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).