CID 58805457

C11H19O2Si — CID 58805457

IUPAC—
SMILESC[Si](C)C1CC=C[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C11H19O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h5-6,8-10H,7H2,1-4H3/t8-,9?,10-/m0/s1
InChIKeyWDZSUDMGOKJUPI-SMILAEQMSA-N
MW211.36 g/mol
LogP2.59
Rot. Bonds1

About CID 58805457

CID 58805457 (PubChem CID 58805457) has the molecular formula C11H19O2Si and a molecular weight of 211.36 g/mol.

Molecular Properties

Compound NameCID 58805457
PubChem CID58805457
Molecular FormulaC11H19O2Si
Molecular Weight211.36 g/mol
Exact Mass211.12
IUPAC Name—
SMILESC[Si](C)C1CC=C[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C11H19O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h5-6,8-10H,7H2,1-4H3/t8-,9?,10-/m0/s1
InChIKeyWDZSUDMGOKJUPI-SMILAEQMSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aS,5R,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15965778
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tert-butyl-dimethylsilane
CID 11161517
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
1,4-Dioxaspiro[4.5]dec-6-en-6-yl(trimethyl)silane
CID 85728290
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-trimethylsilane
CID 15965749
(3aS,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 58805455
(3aS,5S,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15965779
(3aR,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 11768786
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-methoxy-dimethylsilane
CID 10776580
[(3aR,4S,7aR)-6-ethenyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10935827
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
[(3aR,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-trimethylsilane
CID 46180361

Frequently Asked Questions

What is the IUPAC name of CID 58805457?
The IUPAC name of CID 58805457 (CID 58805457) is not available.
What is the SMILES notation for CID 58805457?
The canonical SMILES for CID 58805457 is C[Si](C)C1CC=C[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of CID 58805457?
The InChIKey is WDZSUDMGOKJUPI-SMILAEQMSA-N. The full InChI is InChI=1S/C11H19O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h5-6,8-10H,7H2,1-4H3/t8-,9?,10-/m0/s1.
What are the key properties of CID 58805457?
CID 58805457 has a molecular weight of 211.36 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58805457 is sourced from PubChem (CID 58805457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).