(Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal

C17H30O3Si2 — CID 101135593

IUPAC(Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal
SMILESCC[Si](/C=C(\C=O)CC1C/C(=C\C=O)[Si](C)(C)O1)(CC)CC
InChIInChI=1S/C17H30O3Si2/c1-6-22(7-2,8-3)14-15(13-19)11-16-12-17(9-10-18)21(4,5)20-16/h9-10,13-14,16H,6-8,11-12H2,1-5H3/b15-14-,17-9+
InChIKeyWKLFQQJGRFPGOG-GNAJGPBVSA-N
MW338.60 g/mol
LogP4.21
Rot. Bonds8

About (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal

(Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal (PubChem CID 101135593) has the molecular formula C17H30O3Si2 and a molecular weight of 338.60 g/mol. Its IUPAC name is (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal
PubChem CID101135593
Molecular FormulaC17H30O3Si2
Molecular Weight338.60 g/mol
Exact Mass338.17
IUPAC Name(Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal
SMILESCC[Si](/C=C(\C=O)CC1C/C(=C\C=O)[Si](C)(C)O1)(CC)CC
InChIInChI=1S/C17H30O3Si2/c1-6-22(7-2,8-3)14-15(13-19)11-16-12-17(9-10-18)21(4,5)20-16/h9-10,13-14,16H,6-8,11-12H2,1-5H3/b15-14-,17-9+
InChIKeyWKLFQQJGRFPGOG-GNAJGPBVSA-N
XLogP4.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal
CID 14409373
(E,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enal
CID 11773982
4,5-Bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde
CID 19000580
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enal
CID 173509317
(Z)-3-[tert-butyl(dimethyl)silyl]-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]prop-2-enal
CID 101135595

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal?
The IUPAC name of (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal (CID 101135593) is (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal.
What is the SMILES notation for (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal?
The canonical SMILES for (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal is CC[Si](/C=C(\C=O)CC1C/C(=C\C=O)[Si](C)(C)O1)(CC)CC.
What is the InChIKey of (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal?
The InChIKey is WKLFQQJGRFPGOG-GNAJGPBVSA-N. The full InChI is InChI=1S/C17H30O3Si2/c1-6-22(7-2,8-3)14-15(13-19)11-16-12-17(9-10-18)21(4,5)20-16/h9-10,13-14,16H,6-8,11-12H2,1-5H3/b15-14-,17-9+.
What are the key properties of (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal?
(Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal has a molecular weight of 338.60 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(3E)-2,2-dimethyl-3-(2-oxoethylidene)oxasilolan-5-yl]methyl]-3-triethylsilylprop-2-enal is sourced from PubChem (CID 101135593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).