(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid

C19H38O3Si — CID 10545282

IUPAC(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid
SMILESCCCC/C=C/CC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-8-9-10-11-12-13-18(14-19(20)21)22-23(15(2)3,16(4)5)17(6)7/h11-12,15-18H,8-10,13-14H2,1-7H3,(H,20,21)/b12-11+
InChIKeyQSLWVIYSLPAIJX-VAWYXSNFSA-N
MW342.60 g/mol
LogP6.16
Rot. Bonds12

About (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid

(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid (PubChem CID 10545282) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid.

Molecular Properties

Compound Name(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid
PubChem CID10545282
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid
SMILESCCCC/C=C/CC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-8-9-10-11-12-13-18(14-19(20)21)22-23(15(2)3,16(4)5)17(6)7/h11-12,15-18H,8-10,13-14H2,1-7H3,(H,20,21)/b12-11+
InChIKeyQSLWVIYSLPAIJX-VAWYXSNFSA-N
XLogP6.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-dodecanoyloxydodec-5-enoic acid
CID 171120165
(Z,3S)-3-methyldodec-5-enoic acid
CID 169492038
3-hydroxytetradec-5-enoic acid
CID 73443469
(2R)-2-[(E)-hexadec-2-enyl]butanedioic acid
CID 98067241
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
CID 101278130
4-hept-2-enoxy-3-hydroxy-4-oxobutanoic acid
CID 141112512
2-pentadec-2-enylbutanedioic acid
CID 54072439
2-pentacos-2-enylbutanedioic acid
CID 139984745
3-[(Z)-tetradec-9-enoyl]oxydodecanoic acid
CID 171117413
tri(propan-2-yl)silyl (Z)-octadec-9-enoate
CID 156904918
CID 170844575
CID 170844575
2-[(Z)-oct-2-enyl]propanedioic acid
CID 156873558

Frequently Asked Questions

What is the IUPAC name of (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid?
The IUPAC name of (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid (CID 10545282) is (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid.
What is the SMILES notation for (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid?
The canonical SMILES for (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid is CCCC/C=C/CC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid?
The InChIKey is QSLWVIYSLPAIJX-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-8-9-10-11-12-13-18(14-19(20)21)22-23(15(2)3,16(4)5)17(6)7/h11-12,15-18H,8-10,13-14H2,1-7H3,(H,20,21)/b12-11+.
What are the key properties of (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid?
(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid has a molecular weight of 342.60 g/mol, XLogP of 6.16, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid is sourced from PubChem (CID 10545282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).