2-hydroxysilyloxypentan-3-yl prop-2-enoate

C8H16O4Si — CID 174938175

IUPAC2-hydroxysilyloxypentan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)C(C)O[SiH2]O
InChIInChI=1S/C8H16O4Si/c1-4-7(6(3)12-13-10)11-8(9)5-2/h5-7,10H,2,4,13H2,1,3H3
InChIKeyKTIOLWBDADNVGO-UHFFFAOYSA-N
MW204.30 g/mol
LogP-0.11
Rot. Bonds6

About 2-hydroxysilyloxypentan-3-yl prop-2-enoate

2-hydroxysilyloxypentan-3-yl prop-2-enoate (PubChem CID 174938175) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-hydroxysilyloxypentan-3-yl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxysilyloxypentan-3-yl prop-2-enoate
PubChem CID174938175
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Name2-hydroxysilyloxypentan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)C(C)O[SiH2]O
InChIInChI=1S/C8H16O4Si/c1-4-7(6(3)12-13-10)11-8(9)5-2/h5-7,10H,2,4,13H2,1,3H3
InChIKeyKTIOLWBDADNVGO-UHFFFAOYSA-N
XLogP-0.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(amino-methoxy-methylsilyl)oxymethane;2-silyloxypentan-3-yl prop-2-enoate
CID 174833655
CID 172734708
CID 172734708
3-ethylheptan-4-yl prop-2-enoate
CID 123986793
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
CID 177132586
CID 177132586
1-tri(propan-2-yloxy)silylpropyl prop-2-enoate
CID 87405020
3,3,4,4-tetrafluorohexan-2-yl prop-2-enoate
CID 141398863
1-butan-2-ylsulfanylethyl prop-2-enoate
CID 146302842
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
3-isocyanatopentan-2-yl prop-2-enoate
CID 57103280
1-cyanobutan-2-yl prop-2-enoate
CID 57224639
1-aminopropyl prop-2-enoate;butane
CID 87190109

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysilyloxypentan-3-yl prop-2-enoate?
The IUPAC name of 2-hydroxysilyloxypentan-3-yl prop-2-enoate (CID 174938175) is 2-hydroxysilyloxypentan-3-yl prop-2-enoate.
What is the SMILES notation for 2-hydroxysilyloxypentan-3-yl prop-2-enoate?
The canonical SMILES for 2-hydroxysilyloxypentan-3-yl prop-2-enoate is C=CC(=O)OC(CC)C(C)O[SiH2]O.
What is the InChIKey of 2-hydroxysilyloxypentan-3-yl prop-2-enoate?
The InChIKey is KTIOLWBDADNVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-4-7(6(3)12-13-10)11-8(9)5-2/h5-7,10H,2,4,13H2,1,3H3.
What are the key properties of 2-hydroxysilyloxypentan-3-yl prop-2-enoate?
2-hydroxysilyloxypentan-3-yl prop-2-enoate has a molecular weight of 204.30 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysilyloxypentan-3-yl prop-2-enoate is sourced from PubChem (CID 174938175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).