ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate

C20H40O4Si — CID 15254806

IUPACethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
SMILESC=C(CCCC(O)CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
InChIInChI=1S/C20H40O4Si/c1-9-23-20(22)18(8)11-10-12-19(21)13-14-24-25(15(2)3,16(4)5)17(6)7/h15-17,19,21H,8-14H2,1-7H3
InChIKeyULNYKCPGWMYFBW-UHFFFAOYSA-N
MW372.62 g/mol
LogP5.22
Rot. Bonds13

About ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate

ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate (PubChem CID 15254806) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate.

Molecular Properties

Compound Nameethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
PubChem CID15254806
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Nameethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
SMILESC=C(CCCC(O)CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
InChIInChI=1S/C20H40O4Si/c1-9-23-20(22)18(8)11-10-12-19(21)13-14-24-25(15(2)3,16(4)5)17(6)7/h15-17,19,21H,8-14H2,1-7H3
InChIKeyULNYKCPGWMYFBW-UHFFFAOYSA-N
XLogP5.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (7R)-7-hydroxy-2-methylidenedodecanoate
CID 15258413
methyl 2-[(2S,5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate
CID 134901734
methyl 2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]-2-hydroxyethyl]oxolan-2-yl]prop-2-enoate
CID 134902088
15-Isopropenyl-3-(trimethylsilyl)oxacyclopentadecan-2-one
CID 552374
diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
CID 10431005
Ethyl 9-(2,2-dimethylpropanoyloxy)-6-hydroxy-2-methylidenenonanoate
CID 15254807
2-Methylidene-9-triethoxysilylnonanoic acid
CID 17938068
14-(2,3-Dihydroxypropoxycarbonyl)pentadec-14-enoic acid
CID 19743156
2,3-Dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate
CID 54106875
Methyl 2-[2-[3-hydroxypropyl(dimethyl)silyl]oxan-2-yl]prop-2-enoate
CID 67215197
ethyl 7-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopenten-1-yl]heptanoate
CID 70535142
6-Hydroxyhexyl 2-methylidenepentadecanoate
CID 87107597

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate?
The IUPAC name of ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate (CID 15254806) is ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate.
What is the SMILES notation for ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate?
The canonical SMILES for ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate is C=C(CCCC(O)CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate?
The InChIKey is ULNYKCPGWMYFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-9-23-20(22)18(8)11-10-12-19(21)13-14-24-25(15(2)3,16(4)5)17(6)7/h15-17,19,21H,8-14H2,1-7H3.
What are the key properties of ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate?
ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate has a molecular weight of 372.62 g/mol, XLogP of 5.22, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate is sourced from PubChem (CID 15254806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).