3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal

C17H26OSi — CID 11254347

IUPAC3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal
SMILESC=C(C[Si](C)(C)c1ccccc1)C(CC=O)CCC
InChIInChI=1S/C17H26OSi/c1-5-9-16(12-13-18)15(2)14-19(3,4)17-10-7-6-8-11-17/h6-8,10-11,13,16H,2,5,9,12,14H2,1,3-4H3
InChIKeyQXWOAXAZDDKFGR-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.16
Rot. Bonds8

About 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal

3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal (PubChem CID 11254347) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal.

Molecular Properties

Compound Name3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal
PubChem CID11254347
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal
SMILESC=C(C[Si](C)(C)c1ccccc1)C(CC=O)CCC
InChIInChI=1S/C17H26OSi/c1-5-9-16(12-13-18)15(2)14-19(3,4)17-10-7-6-8-11-17/h6-8,10-11,13,16H,2,5,9,12,14H2,1,3-4H3
InChIKeyQXWOAXAZDDKFGR-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane
CID 86231004
2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal
CID 10955439
2-iodoprop-2-enyl-dimethyl-phenylsilane
CID 14028568
2-[[dimethyl(phenyl)silyl]methyl]-4-methylnon-1-en-5-one
CID 53342867
dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane
CID 102172890
dimethyl-phenyl-(2,3,3-trifluoroprop-2-enyl)silane
CID 162419783
3-[dimethyl(phenyl)silyl]-3-trimethylsilylpropanal
CID 102292717
[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane
CID 101273387
3-phenylheptanal
CID 10954355
2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal
CID 177499840
(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
CID 169128641
(3R,4S)-4-(dibenzylamino)-3-ethenylheptanal
CID 46218091

Frequently Asked Questions

What is the IUPAC name of 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal?
The IUPAC name of 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal (CID 11254347) is 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal.
What is the SMILES notation for 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal?
The canonical SMILES for 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal is C=C(C[Si](C)(C)c1ccccc1)C(CC=O)CCC.
What is the InChIKey of 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal?
The InChIKey is QXWOAXAZDDKFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-5-9-16(12-13-18)15(2)14-19(3,4)17-10-7-6-8-11-17/h6-8,10-11,13,16H,2,5,9,12,14H2,1,3-4H3.
What are the key properties of 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal?
3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal has a molecular weight of 274.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal is sourced from PubChem (CID 11254347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).