butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate

C26H50O3Si — CID 102343988

IUPACbutyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate
SMILESCCCCOC(=O)/C=C/C=C(\C)CC(O[Si](C(C)C)(C(C)C)C(C)C)C(CC)CC
InChIInChI=1S/C26H50O3Si/c1-11-14-18-28-26(27)17-15-16-23(10)19-25(24(12-2)13-3)29-30(20(4)5,21(6)7)22(8)9/h15-17,20-22,24-25H,11-14,18-19H2,1-10H3/b17-15+,23-16+
InChIKeyPDJNCXSTEPQHMW-XYKMIDAESA-N
MW438.77 g/mol
LogP8.22
Rot. Bonds15

About butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate

butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate (PubChem CID 102343988) has the molecular formula C26H50O3Si and a molecular weight of 438.77 g/mol. Its IUPAC name is butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate.

Molecular Properties

Compound Namebutyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate
PubChem CID102343988
Molecular FormulaC26H50O3Si
Molecular Weight438.77 g/mol
Exact Mass438.35
IUPAC Namebutyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate
SMILESCCCCOC(=O)/C=C/C=C(\C)CC(O[Si](C(C)C)(C(C)C)C(C)C)C(CC)CC
InChIInChI=1S/C26H50O3Si/c1-11-14-18-28-26(27)17-15-16-23(10)19-25(24(12-2)13-3)29-30(20(4)5,21(6)7)22(8)9/h15-17,20-22,24-25H,11-14,18-19H2,1-10H3/b17-15+,23-16+
InChIKeyPDJNCXSTEPQHMW-XYKMIDAESA-N
XLogP8.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.77
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
methyl (2E,4E,8E,10E,14S)-7-[tert-butyl(dimethyl)silyl]oxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
CID 10645825
(2S)-2-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2,3-dihydropyran-6-one
CID 10926661
ethyl (2E)-2-[7-[tert-butyl(dimethyl)silyl]oxy-7-methylcyclohept-3-en-1-ylidene]acetate
CID 10936244
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
2-trimethylsilylethyl (2E,6E)-2-methyl-7-[(2S,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxiran-2-yl]hepta-2,6-dienoate
CID 11191739
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-enoate
CID 11403840
ethyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 11619467
methyl (2E,4E,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoate
CID 11729487

Frequently Asked Questions

What is the IUPAC name of butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate?
The IUPAC name of butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate (CID 102343988) is butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate.
What is the SMILES notation for butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate?
The canonical SMILES for butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate is CCCCOC(=O)/C=C/C=C(\C)CC(O[Si](C(C)C)(C(C)C)C(C)C)C(CC)CC.
What is the InChIKey of butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate?
The InChIKey is PDJNCXSTEPQHMW-XYKMIDAESA-N. The full InChI is InChI=1S/C26H50O3Si/c1-11-14-18-28-26(27)17-15-16-23(10)19-25(24(12-2)13-3)29-30(20(4)5,21(6)7)22(8)9/h15-17,20-22,24-25H,11-14,18-19H2,1-10H3/b17-15+,23-16+.
What are the key properties of butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate?
butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate has a molecular weight of 438.77 g/mol, XLogP of 8.22, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2E,4E)-8-ethyl-5-methyl-7-tri(propan-2-yl)silyloxydeca-2,4-dienoate is sourced from PubChem (CID 102343988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).