(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal

C18H30O2Si — CID 11012234

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC=O)CCCc1ccccc1
InChIInChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-17(14-15-19)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,9,12-14H2,1-5H3/t17-/m1/s1
InChIKeyIYUAHXKVIPELPI-QGZVFWFLSA-N
MW306.52 g/mol
LogP4.99
Rot. Bonds8

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal (PubChem CID 11012234) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal
PubChem CID11012234
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC=O)CCCc1ccccc1
InChIInChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-17(14-15-19)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,9,12-14H2,1-5H3/t17-/m1/s1
InChIKeyIYUAHXKVIPELPI-QGZVFWFLSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.99
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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Related Compounds

2-((Tert-butyldimethylsilyl)oxy)-2-phenylacetaldehyde
CID 10890342
3-(tert-Butyldimethylsilyloxy)-2-benzylpropanal
CID 10850249
4-[Tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one
CID 10956840
(S)-alpha-(t-Butyldimethylsilyloxy)-alpha-phenylacetaldehyde
CID 11075902
Ethyl 3-benzyl-3-[fluoro(dimethyl)silyl]pentanoate
CID 135000507
Nnpuiqscprgllk-cqszacivsa-
CID 10955923
Methyl 2,2-dimethyl-5-phenyl-3-trimethylsilyloxypentanoate
CID 9901224
(R)-alpha-(t-Butyldimethylsilyloxy)-alpha-phenylacetaldehyde
CID 10933947
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal
CID 10980092
2-{Phenyl[(trimethylsilyl)oxy]methyl}cyclohexan-1-one
CID 12602088
3-(Tert-butyldimethylsilyloxy)propiophenone
CID 13523348
2-(Tert-butyldimethylsilyloxy)-4-phenylbutanal
CID 13723212

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal (CID 11012234) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal is CC(C)(C)[Si](C)(C)O[C@@H](CC=O)CCCc1ccccc1.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal?
The InChIKey is IYUAHXKVIPELPI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-17(14-15-19)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,9,12-14H2,1-5H3/t17-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal has a molecular weight of 306.52 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-phenylhexanal is sourced from PubChem (CID 11012234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).