3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid

C15H28O4Si — CID 54459378

IUPAC3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid
SMILESCC=C(CC(=O)O)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O4Si/c1-8-13(9-14(16)17)15(18)19-20(10(2)3,11(4)5)12(6)7/h8,10-12H,9H2,1-7H3,(H,16,17)
InChIKeyXANKGZMBEHFANH-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.13
Rot. Bonds7

About 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid

3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid (PubChem CID 54459378) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid
PubChem CID54459378
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid
SMILESCC=C(CC(=O)O)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O4Si/c1-8-13(9-14(16)17)15(18)19-20(10(2)3,11(4)5)12(6)7/h8,10-12H,9H2,1-7H3,(H,16,17)
InChIKeyXANKGZMBEHFANH-UHFFFAOYSA-N
XLogP4.13
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
CID 101496063
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 167577175
2-ethylidenebutanedioic acid;prop-2-enoic acid
CID 162112732
1-O-methyl 4-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] but-2-enedioate
CID 91372829
methyl 4-amino-2-ethylidenepentanoate
CID 174726173
(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol
CID 11376118
tri(propan-2-yl)silyloxycarbamic acid
CID 87374464
tri(propan-2-yl)silyl (Z)-octadec-9-enoate
CID 156904918
1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate
CID 87706788
1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate
CID 91313467
(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid
CID 10545282

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid?
The IUPAC name of 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid (CID 54459378) is 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid?
The canonical SMILES for 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid is CC=C(CC(=O)O)C(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid?
The InChIKey is XANKGZMBEHFANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-13(9-14(16)17)15(18)19-20(10(2)3,11(4)5)12(6)7/h8,10-12H,9H2,1-7H3,(H,16,17).
What are the key properties of 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid?
3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid has a molecular weight of 300.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid is sourced from PubChem (CID 54459378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).