1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate

C18H36O4Si — CID 175175896

IUPAC1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCCCC)C[SiH](OC)OC
InChIInChI=1S/C18H36O4Si/c1-6-7-8-9-10-11-12-13-14-17(15-23(20-4)21-5)22-18(19)16(2)3/h17,23H,2,6-15H2,1,3-5H3
InChIKeyBRTRVRZXTIRPMW-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.52
Rot. Bonds15

About 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate

1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate (PubChem CID 175175896) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate
PubChem CID175175896
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCCCC)C[SiH](OC)OC
InChIInChI=1S/C18H36O4Si/c1-6-7-8-9-10-11-12-13-14-17(15-23(20-4)21-5)22-18(19)16(2)3/h17,23H,2,6-15H2,1,3-5H3
InChIKeyBRTRVRZXTIRPMW-UHFFFAOYSA-N
XLogP4.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.52
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

pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
decan-4-yl 2-methylprop-2-enoate
CID 22149421
1-dimethoxysilylundecan-2-yl prop-2-enoate
CID 174052556
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
CID 22715444
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
1-methoxyheptyl 2-methylprop-2-enoate
CID 140764292
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527
8-ethyldodecan-6-yl 2-methylprop-2-enoate
CID 18995565

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate (CID 175175896) is 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCCCCCCC)C[SiH](OC)OC.
What is the InChIKey of 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate?
The InChIKey is BRTRVRZXTIRPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-6-7-8-9-10-11-12-13-14-17(15-23(20-4)21-5)22-18(19)16(2)3/h17,23H,2,6-15H2,1,3-5H3.
What are the key properties of 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate?
1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate has a molecular weight of 344.57 g/mol, XLogP of 4.52, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 175175896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).