(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal

C14H30O2Si — CID 11242368

IUPAC(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](OC[C@@H](C)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7)8-9-15/h9,11-14H,8,10H2,1-7H3/t14-/m0/s1
InChIKeyXRXWZGREOQJBCR-AWEZNQCLSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds8

About (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal

(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal (PubChem CID 11242368) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal.

Molecular Properties

Compound Name(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal
PubChem CID11242368
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](OC[C@@H](C)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7)8-9-15/h9,11-14H,8,10H2,1-7H3/t14-/m0/s1
InChIKeyXRXWZGREOQJBCR-AWEZNQCLSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.40
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal?
The IUPAC name of (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal (CID 11242368) is (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal.
What is the SMILES notation for (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal?
The canonical SMILES for (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal is CC(C)[Si](OC[C@@H](C)CC=O)(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal?
The InChIKey is XRXWZGREOQJBCR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7)8-9-15/h9,11-14H,8,10H2,1-7H3/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal?
(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal has a molecular weight of 258.48 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanal is sourced from PubChem (CID 11242368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).