(3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate

C11H24O3Si2 — CID 173125451

IUPAC(3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC(CC)(CC)C(CC)[SiH2]O[SiH3]
InChIInChI=1S/C11H24O3Si2/c1-5-9(16-14-15)11(7-3,8-4)13-10(12)6-2/h6,9H,2,5,7-8,16H2,1,3-4,15H3
InChIKeyYDPISDRUJKNFGK-UHFFFAOYSA-N
MW260.48 g/mol
LogP0.85
Rot. Bonds8

About (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate

(3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate (PubChem CID 173125451) has the molecular formula C11H24O3Si2 and a molecular weight of 260.48 g/mol. Its IUPAC name is (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate
PubChem CID173125451
Molecular FormulaC11H24O3Si2
Molecular Weight260.48 g/mol
Exact Mass260.13
IUPAC Name(3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC(CC)(CC)C(CC)[SiH2]O[SiH3]
InChIInChI=1S/C11H24O3Si2/c1-5-9(16-14-15)11(7-3,8-4)13-10(12)6-2/h6,9H,2,5,7-8,16H2,1,3-4,15H3
InChIKeyYDPISDRUJKNFGK-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.48
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,4-diethylhexan-3-yl prop-2-enoate
CID 175395988
2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate
CID 150676668
(3-ethyl-4-methyloctan-3-yl) prop-2-enoate
CID 164546565
(2-amino-3-hydroxypentan-3-yl) prop-2-enoate
CID 154432849
3-ethylpent-1-en-3-yl prop-2-enoate
CID 135009193
2-ethyl-2-prop-2-enoyloxypropanedioic acid
CID 174894826
2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
(1,12-dihydroxy-1-prop-2-enoyloxytetradecyl) prop-2-enoate
CID 154691680
(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate
CID 170161205
(4-ethyl-3-methylhexa-1,5-dien-3-yl) prop-2-enoate
CID 151459288
(2-hydroxy-3-prop-2-enoyloxyhexan-3-yl) prop-2-enoate
CID 141398047
(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate
CID 167442239

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate?
The IUPAC name of (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate (CID 173125451) is (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate.
What is the SMILES notation for (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate?
The canonical SMILES for (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate is C=CC(=O)OC(CC)(CC)C(CC)[SiH2]O[SiH3].
What is the InChIKey of (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate?
The InChIKey is YDPISDRUJKNFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si2/c1-5-9(16-14-15)11(7-3,8-4)13-10(12)6-2/h6,9H,2,5,7-8,16H2,1,3-4,15H3.
What are the key properties of (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate?
(3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate has a molecular weight of 260.48 g/mol, XLogP of 0.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate is sourced from PubChem (CID 173125451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).