(2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde

C11H14O2Si — CID 11160053

IUPAC(2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde
SMILESC[Si](C)(c1ccccc1)[C@H]1O[C@H]1C=O
InChIInChI=1S/C11H14O2Si/c1-14(2,11-10(8-12)13-11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-,11+/m0/s1
InChIKeyPSCNHZWAAMAJDE-WDEREUQCSA-N
MW206.32 g/mol
LogP1.11
Rot. Bonds3

About (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde

(2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde (PubChem CID 11160053) has the molecular formula C11H14O2Si and a molecular weight of 206.32 g/mol. Its IUPAC name is (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde
PubChem CID11160053
Molecular FormulaC11H14O2Si
Molecular Weight206.32 g/mol
Exact Mass206.08
IUPAC Name(2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde
SMILESC[Si](C)(c1ccccc1)[C@H]1O[C@H]1C=O
InChIInChI=1S/C11H14O2Si/c1-14(2,11-10(8-12)13-11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-,11+/m0/s1
InChIKeyPSCNHZWAAMAJDE-WDEREUQCSA-N
XLogP1.11
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 51.11
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S)-3-[dimethyl(phenyl)silyl]oxiran-2-yl]-dimethyl-phenylsilane
CID 15526879
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane
CID 134942155
methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate
CID 15807828
(2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde
CID 122395166
cyclopentyl-dimethyl-phenylsilane
CID 59962320
(4R,5R)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
CID 15122218
(3aS,4R,6S,6aS)-4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 102191385
2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid
CID 175221682
(4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde
CID 87430373
(3aR,5S,6R,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11224080
(2R,3R,4R,5S)-2-[(E)-2-(2-bromophenyl)ethenyl]-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)oxolane-3-carbaldehyde
CID 51039496
tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane
CID 102426679

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde?
The IUPAC name of (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde (CID 11160053) is (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde is C[Si](C)(c1ccccc1)[C@H]1O[C@H]1C=O.
What is the InChIKey of (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde?
The InChIKey is PSCNHZWAAMAJDE-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14O2Si/c1-14(2,11-10(8-12)13-11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde?
(2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde has a molecular weight of 206.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 11160053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).