4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate

C14H26O4Si — CID 139703201

IUPAC4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate
SMILESCCCCCOC(=O)/C=C\C(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C14H26O4Si/c1-6-7-8-11-17-13(15)9-10-14(16)18-19(4,5)12(2)3/h9-10,12H,6-8,11H2,1-5H3/b10-9-
InChIKeyXHFMPCATYYITSC-KTKRTIGZSA-N
MW286.44 g/mol
LogP3.43
Rot. Bonds8

About 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate

4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate (PubChem CID 139703201) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate.

Molecular Properties

Compound Name4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate
PubChem CID139703201
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate
SMILESCCCCCOC(=O)/C=C\C(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C14H26O4Si/c1-6-7-8-11-17-13(15)9-10-14(16)18-19(4,5)12(2)3/h9-10,12H,6-8,11H2,1-5H3/b10-9-
InChIKeyXHFMPCATYYITSC-KTKRTIGZSA-N
XLogP3.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-O-hexyl 1-O-pentyl (E)-but-2-enedioate
CID 91709768
dioctyl but-2-enedioate
CID 18011
dihexyl (Z)-but-2-enedioate
CID 5271573
didodecyl (Z)-but-2-enedioate
CID 5354846
diundecyl (Z)-but-2-enedioate
CID 5354455
4-O-decyl 1-O-heptyl (E)-but-2-enedioate
CID 91693346
[dimethyl(propan-2-yl)silyl] octyl carbonate
CID 155712707
CID 87328698
CID 87328698
dihexyl (Z)-but-2-enedioate;λ2-stannane
CID 174493424
1-O-butyl 4-O-octyl (E)-but-2-enedioate
CID 22719393
1-O-pentyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 91709963
4-O-(2-methylpropyl) 1-O-pentyl (E)-but-2-enedioate
CID 91725313

Frequently Asked Questions

What is the IUPAC name of 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate?
The IUPAC name of 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate (CID 139703201) is 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate.
What is the SMILES notation for 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate?
The canonical SMILES for 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate is CCCCCOC(=O)/C=C\C(=O)O[Si](C)(C)C(C)C.
What is the InChIKey of 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate?
The InChIKey is XHFMPCATYYITSC-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-6-7-8-11-17-13(15)9-10-14(16)18-19(4,5)12(2)3/h9-10,12H,6-8,11H2,1-5H3/b10-9-.
What are the key properties of 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate?
4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate has a molecular weight of 286.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate is sourced from PubChem (CID 139703201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).