3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate

C16H32O3Si — CID 174205697

IUPAC3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(CCCCC)[SiH2]OC(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-8-9-10-14(20-19-16(4,5)6)11-12-18-15(17)13(2)3/h14H,2,7-12,20H2,1,3-6H3
InChIKeyQXPTWYTVUSEJBI-UHFFFAOYSA-N
MW300.52 g/mol
LogP3.76
Rot. Bonds10

About 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate

3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate (PubChem CID 174205697) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate
PubChem CID174205697
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(CCCCC)[SiH2]OC(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-8-9-10-14(20-19-16(4,5)6)11-12-18-15(17)13(2)3/h14H,2,7-12,20H2,1,3-6H3
InChIKeyQXPTWYTVUSEJBI-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-(2-bromopropan-2-yl)heptadecyl 2-methylprop-2-enoate
CID 141440085
3-methylhexadecyl 2-methylprop-2-enoate
CID 140601644
3-butylhexadecyl 2-methylprop-2-enoate
CID 140601631
4-tert-butyldodecyl 2-methylprop-2-enoate
CID 151688147
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
8-propyltetradecyl 2-methylprop-2-enoate
CID 156690480
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
4-(3-ethylpentan-3-yl)dodecyl 2-methylprop-2-enoate
CID 151684910

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate (CID 174205697) is 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(CCCCC)[SiH2]OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate?
The InChIKey is QXPTWYTVUSEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-8-9-10-14(20-19-16(4,5)6)11-12-18-15(17)13(2)3/h14H,2,7-12,20H2,1,3-6H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate?
3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate has a molecular weight of 300.52 g/mol, XLogP of 3.76, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxysilyl]octyl 2-methylprop-2-enoate is sourced from PubChem (CID 174205697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).