5-silyloxycarbonylheptanoic acid

C8H16O4Si — CID 175188564

IUPAC5-silyloxycarbonylheptanoic acid
SMILESCCC(CCCC(=O)O)C(=O)O[SiH3]
InChIInChI=1S/C8H16O4Si/c1-2-6(8(11)12-13)4-3-5-7(9)10/h6H,2-5H2,1,13H3,(H,9,10)
InChIKeyXQPYRNLYJOKLFY-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.09
Rot. Bonds6

About 5-silyloxycarbonylheptanoic acid

5-silyloxycarbonylheptanoic acid (PubChem CID 175188564) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-silyloxycarbonylheptanoic acid.

Molecular Properties

Compound Name5-silyloxycarbonylheptanoic acid
PubChem CID175188564
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Name5-silyloxycarbonylheptanoic acid
SMILESCCC(CCCC(=O)O)C(=O)O[SiH3]
InChIInChI=1S/C8H16O4Si/c1-2-6(8(11)12-13)4-3-5-7(9)10/h6H,2-5H2,1,13H3,(H,9,10)
InChIKeyXQPYRNLYJOKLFY-UHFFFAOYSA-N
XLogP0.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxycarbonylheptanoic acid
CID 174416227
5-[2-(2-hydroxyethoxy)ethoxycarbonyl]heptanoic acid
CID 174815262
2-ethylhexadecanedioic acid
CID 88785674
butanoic acid;ethyl acetate;2-ethylhexanedioic acid
CID 161487044
2-ethylhexanedioic acid;propan-2-yl hexanoate
CID 175244163
4-amino-5-(2-ethylhexanoyloxy)-5-oxopentanoic acid
CID 138683541
7-phenylmethoxycarbonylnonanoic acid
CID 154313414
(5R)-5-hydroxyheptanoic acid
CID 14029725
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
trimethylplumbyl 2-ethylhexanoate
CID 16683317
2-ethylbutanoic acid;hexadecanoic acid
CID 174469732
2-(5-hydroxyheptyl)hexanedioic acid
CID 134209805

Frequently Asked Questions

What is the IUPAC name of 5-silyloxycarbonylheptanoic acid?
The IUPAC name of 5-silyloxycarbonylheptanoic acid (CID 175188564) is 5-silyloxycarbonylheptanoic acid.
What is the SMILES notation for 5-silyloxycarbonylheptanoic acid?
The canonical SMILES for 5-silyloxycarbonylheptanoic acid is CCC(CCCC(=O)O)C(=O)O[SiH3].
What is the InChIKey of 5-silyloxycarbonylheptanoic acid?
The InChIKey is XQPYRNLYJOKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-2-6(8(11)12-13)4-3-5-7(9)10/h6H,2-5H2,1,13H3,(H,9,10).
What are the key properties of 5-silyloxycarbonylheptanoic acid?
5-silyloxycarbonylheptanoic acid has a molecular weight of 204.30 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-silyloxycarbonylheptanoic acid is sourced from PubChem (CID 175188564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).