8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

C19H26O4Si — CID 154720480

IUPAC8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESC=C(C1(C(=O)O)CCC2(CC1)OCCO2)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H26O4Si/c1-15(24(2,3)16-7-5-4-6-8-16)18(17(20)21)9-11-19(12-10-18)22-13-14-23-19/h4-8H,1,9-14H2,2-3H3,(H,20,21)
InChIKeyCBIYYGUKUQIBHS-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.09
Rot. Bonds4

About 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 154720480) has the molecular formula C19H26O4Si and a molecular weight of 346.50 g/mol. Its IUPAC name is 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID154720480
Molecular FormulaC19H26O4Si
Molecular Weight346.50 g/mol
Exact Mass346.16
IUPAC Name8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESC=C(C1(C(=O)O)CCC2(CC1)OCCO2)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H26O4Si/c1-15(24(2,3)16-7-5-4-6-8-16)18(17(20)21)9-11-19(12-10-18)22-13-14-23-19/h4-8H,1,9-14H2,2-3H3,(H,20,21)
InChIKeyCBIYYGUKUQIBHS-UHFFFAOYSA-N
XLogP3.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dioxaspiro[4.5]decane-8-carboxylic acid, 8-(4-fluorophenyl)-
CID 12230246
1'-(2-Fluorophenyl)spiro[[1,3]dioxolane-2,4'-cyclohexane]-1'-carboxylic acid
CID 21834550
4-Benzyl-4-carbomethoxy-1-cyclohexaneone ethylene ketal
CID 12251260
8-Phenyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 12286702
Ethyl 8-(3-phenylpropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 21920709
8-(3-Phenylpropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 21920804
(R)-(+)-3-[(2,2-Dimethyl-1,3-dioxolanyl)methyl]-2,2-diphenylpropionic acid
CID 54518524
Ethyl 8-(2-phenylethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58388166
Ethyl 8-benzyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate
CID 59218761
Ethyl 8-(4-phenylbutyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 69011004
8-Benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 85868434
Ethyl 8-(phenylselanyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 86703720

Frequently Asked Questions

What is the IUPAC name of 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 154720480) is 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is C=C(C1(C(=O)O)CCC2(CC1)OCCO2)[Si](C)(C)c1ccccc1.
What is the InChIKey of 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is CBIYYGUKUQIBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4Si/c1-15(24(2,3)16-7-5-4-6-8-16)18(17(20)21)9-11-19(12-10-18)22-13-14-23-19/h4-8H,1,9-14H2,2-3H3,(H,20,21).
What are the key properties of 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 346.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[dimethyl(phenyl)silyl]ethenyl]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 154720480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).