(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal

C11H22O2Si — CID 23584109

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
SMILESC=C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t10-/m1/s1
InChIKeyALIHNFVUHXDQDJ-SNVBAGLBSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds5

About (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal

(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal (PubChem CID 23584109) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
PubChem CID23584109
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
SMILESC=C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t10-/m1/s1
InChIKeyALIHNFVUHXDQDJ-SNVBAGLBSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'aldehyde', 'substructure': 'N/A'}, {'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)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal (CID 23584109) is (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal is C=C[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal?
The InChIKey is ALIHNFVUHXDQDJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t10-/m1/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal has a molecular weight of 214.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal is sourced from PubChem (CID 23584109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).