CID 173328565

C28H45O3Si — CID 173328565

IUPAC—
SMILESCCCCCCCCC(C=CC=Cc1cccc(C(O[Si](C)C)C(C)(C)C)c1)OC(C)=O
InChIInChI=1S/C28H45O3Si/c1-8-9-10-11-12-13-20-26(30-23(2)29)21-15-14-17-24-18-16-19-25(22-24)27(28(3,4)5)31-32(6)7/h14-19,21-22,26-27H,8-13,20H2,1-7H3
InChIKeyWICJCLGXJWDFPN-UHFFFAOYSA-N
MW457.75 g/mol
LogP8.29
Rot. Bonds14

About CID 173328565

CID 173328565 (PubChem CID 173328565) has the molecular formula C28H45O3Si and a molecular weight of 457.75 g/mol.

Molecular Properties

Compound NameCID 173328565
PubChem CID173328565
Molecular FormulaC28H45O3Si
Molecular Weight457.75 g/mol
Exact Mass457.31
IUPAC Name—
SMILESCCCCCCCCC(C=CC=Cc1cccc(C(O[Si](C)C)C(C)(C)C)c1)OC(C)=O
InChIInChI=1S/C28H45O3Si/c1-8-9-10-11-12-13-20-26(30-23(2)29)21-15-14-17-24-18-16-19-25(22-24)27(28(3,4)5)31-32(6)7/h14-19,21-22,26-27H,8-13,20H2,1-7H3
InChIKeyWICJCLGXJWDFPN-UHFFFAOYSA-N
XLogP8.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.75
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 67718097
CID 67718097
[(1E,3E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]trideca-1,3-dien-5-yl] acetate
CID 15661772
[(1E,3E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]trideca-1,3-dien-5-yl] acetate
CID 15925212
1-[2-(5-hydroxypentyl)phenyl]trideca-1,3-dien-5-yl acetate
CID 54382124
5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid
CID 15067617
[(E)-dec-2-en-4-yl] acetate
CID 13351016
dodeca-1,3-dien-5-yl acetate
CID 90996679
[(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate
CID 135015279
[(E)-2-oxoundec-3-en-5-yl] acetate
CID 15656036
[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
CID 54559685
undec-1-en-3-yl acetate
CID 3023472
[(1S)-1-[3-(hydroxymethyl)phenyl]octyl] acetate
CID 57413207

Frequently Asked Questions

What is the IUPAC name of CID 173328565?
The IUPAC name of CID 173328565 (CID 173328565) is not available.
What is the SMILES notation for CID 173328565?
The canonical SMILES for CID 173328565 is CCCCCCCCC(C=CC=Cc1cccc(C(O[Si](C)C)C(C)(C)C)c1)OC(C)=O.
What is the InChIKey of CID 173328565?
The InChIKey is WICJCLGXJWDFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45O3Si/c1-8-9-10-11-12-13-20-26(30-23(2)29)21-15-14-17-24-18-16-19-25(22-24)27(28(3,4)5)31-32(6)7/h14-19,21-22,26-27H,8-13,20H2,1-7H3.
What are the key properties of CID 173328565?
CID 173328565 has a molecular weight of 457.75 g/mol, XLogP of 8.29, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173328565 is sourced from PubChem (CID 173328565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).