9-trihydroxysilylnonan-2-yl prop-2-enoate

C12H24O5Si — CID 176894316

IUPAC9-trihydroxysilylnonan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCC[Si](O)(O)O
InChIInChI=1S/C12H24O5Si/c1-3-12(13)17-11(2)9-7-5-4-6-8-10-18(14,15)16/h3,11,14-16H,1,4-10H2,2H3
InChIKeyUKAMJKAWTULZMK-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.36
Rot. Bonds10

About 9-trihydroxysilylnonan-2-yl prop-2-enoate

9-trihydroxysilylnonan-2-yl prop-2-enoate (PubChem CID 176894316) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 9-trihydroxysilylnonan-2-yl prop-2-enoate.

Molecular Properties

Compound Name9-trihydroxysilylnonan-2-yl prop-2-enoate
PubChem CID176894316
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name9-trihydroxysilylnonan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCC[Si](O)(O)O
InChIInChI=1S/C12H24O5Si/c1-3-12(13)17-11(2)9-7-5-4-6-8-10-18(14,15)16/h3,11,14-16H,1,4-10H2,2H3
InChIKeyUKAMJKAWTULZMK-UHFFFAOYSA-N
XLogP1.36
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
5-methylhexan-2-yl prop-2-enoate
CID 151222941
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203

Frequently Asked Questions

What is the IUPAC name of 9-trihydroxysilylnonan-2-yl prop-2-enoate?
The IUPAC name of 9-trihydroxysilylnonan-2-yl prop-2-enoate (CID 176894316) is 9-trihydroxysilylnonan-2-yl prop-2-enoate.
What is the SMILES notation for 9-trihydroxysilylnonan-2-yl prop-2-enoate?
The canonical SMILES for 9-trihydroxysilylnonan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCCCCC[Si](O)(O)O.
What is the InChIKey of 9-trihydroxysilylnonan-2-yl prop-2-enoate?
The InChIKey is UKAMJKAWTULZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-3-12(13)17-11(2)9-7-5-4-6-8-10-18(14,15)16/h3,11,14-16H,1,4-10H2,2H3.
What are the key properties of 9-trihydroxysilylnonan-2-yl prop-2-enoate?
9-trihydroxysilylnonan-2-yl prop-2-enoate has a molecular weight of 276.40 g/mol, XLogP of 1.36, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-trihydroxysilylnonan-2-yl prop-2-enoate is sourced from PubChem (CID 176894316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).