ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate

C17H32O4Si — CID 45100851

IUPACethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate
SMILESC=CCC(C=C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C
InChIInChI=1S/C17H32O4Si/c1-9-12-16(10-2)21-22(13(4)5,14(6)7)20-15(8)17(18)19-11-3/h9-10,13-16H,1-2,11-12H2,3-8H3/t15-,16?/m0/s1
InChIKeyLHMBDTWWJDLOAH-VYRBHSGPSA-N
MW328.53 g/mol
LogP4.36
Rot. Bonds11

About ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate

ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate (PubChem CID 45100851) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate
PubChem CID45100851
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nameethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate
SMILESC=CCC(C=C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C
InChIInChI=1S/C17H32O4Si/c1-9-12-16(10-2)21-22(13(4)5,14(6)7)20-15(8)17(18)19-11-3/h9-10,13-16H,1-2,11-12H2,3-8H3/t15-,16?/m0/s1
InChIKeyLHMBDTWWJDLOAH-VYRBHSGPSA-N
XLogP4.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335
[Diacetyloxy(ethenyl)silyl] 2-acetyloxybut-3-enoate
CID 151882777
Methyl 2-trimethylsilyloxybut-3-enoate
CID 156672558
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674
Ethyl 2-trimethylsilyloxypent-4-enoate
CID 11063854
methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate
CID 11199689
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11806891
methyl (Z,2R)-2-triethylsilyloxy-5-trimethylstannylpent-4-enoate
CID 44632392
ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
CID 45100767
ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
CID 45100852
ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate
CID 45101788
Butyl 2-(acetyloxy)-4-(trimethylsilyl)but-3-enoate
CID 71413592

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The IUPAC name of ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate (CID 45100851) is ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The canonical SMILES for ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate is C=CCC(C=C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C.
What is the InChIKey of ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The InChIKey is LHMBDTWWJDLOAH-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-9-12-16(10-2)21-22(13(4)5,14(6)7)20-15(8)17(18)19-11-3/h9-10,13-16H,1-2,11-12H2,3-8H3/t15-,16?/m0/s1.
What are the key properties of ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate?
ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate has a molecular weight of 328.53 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate is sourced from PubChem (CID 45100851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).