1-dimethoxysilylundecan-2-yl prop-2-enoate

C16H32O4Si — CID 174052556

IUPAC1-dimethoxysilylundecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CCCCCCCCC)C[SiH](OC)OC
InChIInChI=1S/C16H32O4Si/c1-5-7-8-9-10-11-12-13-15(20-16(17)6-2)14-21(18-3)19-4/h6,15,21H,2,5,7-14H2,1,3-4H3
InChIKeyGMGIHHQVSRKIBQ-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.74
Rot. Bonds14

About 1-dimethoxysilylundecan-2-yl prop-2-enoate

1-dimethoxysilylundecan-2-yl prop-2-enoate (PubChem CID 174052556) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-dimethoxysilylundecan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-dimethoxysilylundecan-2-yl prop-2-enoate
PubChem CID174052556
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name1-dimethoxysilylundecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CCCCCCCCC)C[SiH](OC)OC
InChIInChI=1S/C16H32O4Si/c1-5-7-8-9-10-11-12-13-15(20-16(17)6-2)14-21(18-3)19-4/h6,15,21H,2,5,7-14H2,1,3-4H3
InChIKeyGMGIHHQVSRKIBQ-UHFFFAOYSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
tridecan-5-yl prop-2-enoate
CID 141073146
pentadecan-4-yl prop-2-enoate
CID 543287
dodecan-3-yl prop-2-enoate
CID 543279
1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate
CID 123684562
1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate
CID 175175896
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
3-prop-2-enoyloxypentadecanoic acid
CID 57233107
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxysilylundecan-2-yl prop-2-enoate?
The IUPAC name of 1-dimethoxysilylundecan-2-yl prop-2-enoate (CID 174052556) is 1-dimethoxysilylundecan-2-yl prop-2-enoate.
What is the SMILES notation for 1-dimethoxysilylundecan-2-yl prop-2-enoate?
The canonical SMILES for 1-dimethoxysilylundecan-2-yl prop-2-enoate is C=CC(=O)OC(CCCCCCCCC)C[SiH](OC)OC.
What is the InChIKey of 1-dimethoxysilylundecan-2-yl prop-2-enoate?
The InChIKey is GMGIHHQVSRKIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-5-7-8-9-10-11-12-13-15(20-16(17)6-2)14-21(18-3)19-4/h6,15,21H,2,5,7-14H2,1,3-4H3.
What are the key properties of 1-dimethoxysilylundecan-2-yl prop-2-enoate?
1-dimethoxysilylundecan-2-yl prop-2-enoate has a molecular weight of 316.51 g/mol, XLogP of 3.74, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxysilylundecan-2-yl prop-2-enoate is sourced from PubChem (CID 174052556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).