ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate

C26H48O3Si — CID 134983708

IUPACethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)/C(=C/C1=C(C(=O)OCC)CCC1)CCCC
InChIInChI=1S/C26H48O3Si/c1-9-12-14-19-24(29-30(7,8)26(4,5)6)22(16-13-10-2)20-21-17-15-18-23(21)25(27)28-11-3/h20,24H,9-19H2,1-8H3/b22-20+
InChIKeyCUINKIFJWQHAMY-LSDHQDQOSA-N
MW436.75 g/mol
LogP8.12
Rot. Bonds13

About ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate

ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate (PubChem CID 134983708) has the molecular formula C26H48O3Si and a molecular weight of 436.75 g/mol. Its IUPAC name is ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
PubChem CID134983708
Molecular FormulaC26H48O3Si
Molecular Weight436.75 g/mol
Exact Mass436.34
IUPAC Nameethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)/C(=C/C1=C(C(=O)OCC)CCC1)CCCC
InChIInChI=1S/C26H48O3Si/c1-9-12-14-19-24(29-30(7,8)26(4,5)6)22(16-13-10-2)20-21-17-15-18-23(21)25(27)28-11-3/h20,24H,9-19H2,1-8H3/b22-20+
InChIKeyCUINKIFJWQHAMY-LSDHQDQOSA-N
XLogP8.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 58.12
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'}

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
CID 46237114
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
CID 134846992
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
methyl (2E,4Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-iodotetradeca-2,4-dienoate
CID 135015261
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate
CID 57108378
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate (CID 134983708) is ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate is CCCCCC(O[Si](C)(C)C(C)(C)C)/C(=C/C1=C(C(=O)OCC)CCC1)CCCC.
What is the InChIKey of ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate?
The InChIKey is CUINKIFJWQHAMY-LSDHQDQOSA-N. The full InChI is InChI=1S/C26H48O3Si/c1-9-12-14-19-24(29-30(7,8)26(4,5)6)22(16-13-10-2)20-21-17-15-18-23(21)25(27)28-11-3/h20,24H,9-19H2,1-8H3/b22-20+.
What are the key properties of ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate?
ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate has a molecular weight of 436.75 g/mol, XLogP of 8.12, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 134983708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).