1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate

C16H32O4Si — CID 123684562

IUPAC1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CCCCC)CC[SiH](OC)OCCCC
InChIInChI=1S/C16H32O4Si/c1-5-8-10-11-15(20-16(17)7-3)12-14-21(18-4)19-13-9-6-2/h7,15,21H,3,5-6,8-14H2,1-2,4H3
InChIKeyPQDPEMQIASYWRY-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.74
Rot. Bonds14

About 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate

1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate (PubChem CID 123684562) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate.

Molecular Properties

Compound Name1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate
PubChem CID123684562
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CCCCC)CC[SiH](OC)OCCCC
InChIInChI=1S/C16H32O4Si/c1-5-8-10-11-15(20-16(17)7-3)12-14-21(18-4)19-13-9-6-2/h7,15,21H,3,5-6,8-14H2,1-2,4H3
InChIKeyPQDPEMQIASYWRY-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

1-dimethoxysilylundecan-2-yl prop-2-enoate
CID 174052556
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
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
dodecan-3-yl prop-2-enoate
CID 543279
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
ethanol;octan-3-yl prop-2-enoate
CID 158914224
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate?
The IUPAC name of 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate (CID 123684562) is 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate.
What is the SMILES notation for 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate?
The canonical SMILES for 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate is C=CC(=O)OC(CCCCC)CC[SiH](OC)OCCCC.
What is the InChIKey of 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate?
The InChIKey is PQDPEMQIASYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-5-8-10-11-15(20-16(17)7-3)12-14-21(18-4)19-13-9-6-2/h7,15,21H,3,5-6,8-14H2,1-2,4H3.
What are the key properties of 1-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate?
1-[butoxy(methoxy)silyl]octan-3-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-[butoxy(methoxy)silyl]octan-3-yl prop-2-enoate is sourced from PubChem (CID 123684562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).