CID 151326583

C12H17O4Si — CID 151326583

IUPAC—
SMILESCCOc1cc(O)c([Si])c(OCC)c1OCC
InChIInChI=1S/C12H17O4Si/c1-4-14-9-7-8(13)12(17)11(16-6-3)10(9)15-5-2/h7,13H,4-6H2,1-3H3
InChIKeyOZNQVXZAMLXDFO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.38
Rot. Bonds6

About CID 151326583

CID 151326583 (PubChem CID 151326583) has the molecular formula C12H17O4Si and a molecular weight of 253.35 g/mol.

Molecular Properties

Compound NameCID 151326583
PubChem CID151326583
Molecular FormulaC12H17O4Si
Molecular Weight253.35 g/mol
Exact Mass253.09
IUPAC Name—
SMILESCCOc1cc(O)c([Si])c(OCC)c1OCC
InChIInChI=1S/C12H17O4Si/c1-4-14-9-7-8(13)12(17)11(16-6-3)10(9)15-5-2/h7,13H,4-6H2,1-3H3
InChIKeyOZNQVXZAMLXDFO-UHFFFAOYSA-N
XLogP1.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3,4-diethoxy-7-ethylnaphthalen-1-ol
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3,4,5-triethoxy-2-prop-2-enylphenol
CID 88626302
4,5-diethoxy-3-propan-2-ylbenzene-1,2-diol
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methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
2-ethoxy-6,7-dimethylnaphthalene-1,4-diol
CID 19886853
5-ethoxy-2,4-difluorophenol
CID 125116194
3,4,5-triethoxybenzenecarbothioamide
CID 82346489
(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate
CID 122506436
propyl 2,3-diethoxy-5,6-dihydroxybenzoate
CID 87961325
9,19,24,26,28,32-hexaethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8(33),9,11(32),13(31),14,16(30),18(29),19,21(28),23,26,34-pentadecaene-4,14,30,34-tetrol
CID 71538266

Frequently Asked Questions

What is the IUPAC name of CID 151326583?
The IUPAC name of CID 151326583 (CID 151326583) is not available.
What is the SMILES notation for CID 151326583?
The canonical SMILES for CID 151326583 is CCOc1cc(O)c([Si])c(OCC)c1OCC.
What is the InChIKey of CID 151326583?
The InChIKey is OZNQVXZAMLXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O4Si/c1-4-14-9-7-8(13)12(17)11(16-6-3)10(9)15-5-2/h7,13H,4-6H2,1-3H3.
What are the key properties of CID 151326583?
CID 151326583 has a molecular weight of 253.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151326583 is sourced from PubChem (CID 151326583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).