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

C11H20O2Si — CID 10921825

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal
SMILESC#C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h1,9-10H,8H2,2-6H3/t10-/m1/s1
InChIKeyJTVHIJXMQVRJID-SNVBAGLBSA-N
MW212.36 g/mol
LogP2.60
Rot. Bonds4

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

(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal (PubChem CID 10921825) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal
PubChem CID10921825
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal
SMILESC#C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h1,9-10H,8H2,2-6H3/t10-/m1/s1
InChIKeyJTVHIJXMQVRJID-SNVBAGLBSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.60
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal (CID 10921825) is (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal 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-ynal?
The InChIKey is JTVHIJXMQVRJID-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h1,9-10H,8H2,2-6H3/t10-/m1/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-ynal has a molecular weight of 212.36 g/mol, XLogP of 2.60, 4 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-ynal is sourced from PubChem (CID 10921825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).