(2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde

C14H28O3Si — CID 134896345

IUPAC(2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde
SMILESCC1(CCCCO[Si](C)(C)C(C)(C)C)O[C@H]1C=O
InChIInChI=1S/C14H28O3Si/c1-13(2,3)18(5,6)16-10-8-7-9-14(4)12(11-15)17-14/h11-12H,7-10H2,1-6H3/t12-,14?/m0/s1
InChIKeyGPUIQFZSUZNFDI-NBFOIZRFSA-N
MW272.46 g/mol
LogP3.53
Rot. Bonds7

About (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde

(2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde (PubChem CID 134896345) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde
PubChem CID134896345
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde
SMILESCC1(CCCCO[Si](C)(C)C(C)(C)C)O[C@H]1C=O
InChIInChI=1S/C14H28O3Si/c1-13(2,3)18(5,6)16-10-8-7-9-14(4)12(11-15)17-14/h11-12H,7-10H2,1-6H3/t12-,14?/m0/s1
InChIKeyGPUIQFZSUZNFDI-NBFOIZRFSA-N
XLogP3.53
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxirane-2-carbaldehyde
CID 25107992
(2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]oxirane-2-carbaldehyde
CID 134896270
CID 162350816
CID 162350816

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde?
The IUPAC name of (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde (CID 134896345) is (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde.
What is the SMILES notation for (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde?
The canonical SMILES for (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde is CC1(CCCCO[Si](C)(C)C(C)(C)C)O[C@H]1C=O.
What is the InChIKey of (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde?
The InChIKey is GPUIQFZSUZNFDI-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-13(2,3)18(5,6)16-10-8-7-9-14(4)12(11-15)17-14/h11-12H,7-10H2,1-6H3/t12-,14?/m0/s1.
What are the key properties of (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde?
(2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde has a molecular weight of 272.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methyloxirane-2-carbaldehyde is sourced from PubChem (CID 134896345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).