CID 67803532

C26H46O4Si3 — CID 67803532

IUPAC—
SMILESCOC(=C(CC(C)(C)C(O[Si]C)O[Si]C)C(C)(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C26H46O4Si3/c1-24(2,3)21(18-26(7,8)23(28-31-10)29-32-11)22(27-9)19-15-14-16-20(17-19)30-33(12,13)25(4,5)6/h14-17,23H,18H2,1-13H3
InChIKeyMRDCMTYFBGOHDU-UHFFFAOYSA-N
MW506.91 g/mol
LogP7.58
Rot. Bonds11

About CID 67803532

CID 67803532 (PubChem CID 67803532) has the molecular formula C26H46O4Si3 and a molecular weight of 506.91 g/mol.

Molecular Properties

Compound NameCID 67803532
PubChem CID67803532
Molecular FormulaC26H46O4Si3
Molecular Weight506.91 g/mol
Exact Mass506.27
IUPAC Name—
SMILESCOC(=C(CC(C)(C)C(O[Si]C)O[Si]C)C(C)(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C26H46O4Si3/c1-24(2,3)21(18-26(7,8)23(28-31-10)29-32-11)22(27-9)19-15-14-16-20(17-19)30-33(12,13)25(4,5)6/h14-17,23H,18H2,1-13H3
InChIKeyMRDCMTYFBGOHDU-UHFFFAOYSA-N
XLogP7.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.91
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
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1-(2-tert-butyl-1-methoxy-5,5-dimethylhex-1-enyl)-3-methoxybenzene
CID 54004902
3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol
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tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
1-[(Z)-2-tert-butyl-1-methoxy-6,6-dimethylhept-1-enyl]-3-methoxybenzene
CID 177443741
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
CID 102344497
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 19076715
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
(R)-(3-bromophenyl)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 129403833
tert-butyl-[3-[(3Z)-6,6-dibromohexa-3,5-dien-3-yl]phenoxy]-dimethylsilane
CID 87503870

Frequently Asked Questions

What is the IUPAC name of CID 67803532?
The IUPAC name of CID 67803532 (CID 67803532) is not available.
What is the SMILES notation for CID 67803532?
The canonical SMILES for CID 67803532 is COC(=C(CC(C)(C)C(O[Si]C)O[Si]C)C(C)(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of CID 67803532?
The InChIKey is MRDCMTYFBGOHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O4Si3/c1-24(2,3)21(18-26(7,8)23(28-31-10)29-32-11)22(27-9)19-15-14-16-20(17-19)30-33(12,13)25(4,5)6/h14-17,23H,18H2,1-13H3.
What are the key properties of CID 67803532?
CID 67803532 has a molecular weight of 506.91 g/mol, XLogP of 7.58, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67803532 is sourced from PubChem (CID 67803532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).