CID 68585474

C44H60O5Si2 — CID 68585474

IUPAC—
SMILESCCCCOc1ccc(C)c([Si](O[Si](c2cc(OCCCC)ccc2C)c2cc(OCCCC)ccc2C)c2cc(OCCCC)ccc2C)c1
InChIInChI=1S/C44H60O5Si2/c1-9-13-25-45-37-21-17-33(5)41(29-37)50(42-30-38(22-18-34(42)6)46-26-14-10-2)49-51(43-31-39(23-19-35(43)7)47-27-15-11-3)44-32-40(24-20-36(44)8)48-28-16-12-4/h17-24,29-32H,9-16,25-28H2,1-8H3
InChIKeyDDGWVAKZBKCYHE-UHFFFAOYSA-N
MW725.13 g/mol
LogP8.56
Rot. Bonds22

About CID 68585474

CID 68585474 (PubChem CID 68585474) has the molecular formula C44H60O5Si2 and a molecular weight of 725.13 g/mol.

Molecular Properties

Compound NameCID 68585474
PubChem CID68585474
Molecular FormulaC44H60O5Si2
Molecular Weight725.13 g/mol
Exact Mass724.40
IUPAC Name—
SMILESCCCCOc1ccc(C)c([Si](O[Si](c2cc(OCCCC)ccc2C)c2cc(OCCCC)ccc2C)c2cc(OCCCC)ccc2C)c1
InChIInChI=1S/C44H60O5Si2/c1-9-13-25-45-37-21-17-33(5)41(29-37)50(42-30-38(22-18-34(42)6)46-26-14-10-2)49-51(43-31-39(23-19-35(43)7)47-27-15-11-3)44-32-40(24-20-36(44)8)48-28-16-12-4/h17-24,29-32H,9-16,25-28H2,1-8H3
InChIKeyDDGWVAKZBKCYHE-UHFFFAOYSA-N
XLogP8.56
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.13
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-butoxy-2-methylphenol
CID 59445644
CID 68586538
CID 68586538
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
1,2-dimethyl-4-propoxybenzene
CID 23549082
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
3,6,9,10-tetrabutoxyphenanthrene
CID 58825721
CID 68585284
CID 68585284
1,3,5-tributoxybenzene
CID 15933337
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
2-butoxy-6-methylnaphthalene
CID 58718847

Frequently Asked Questions

What is the IUPAC name of CID 68585474?
The IUPAC name of CID 68585474 (CID 68585474) is not available.
What is the SMILES notation for CID 68585474?
The canonical SMILES for CID 68585474 is CCCCOc1ccc(C)c([Si](O[Si](c2cc(OCCCC)ccc2C)c2cc(OCCCC)ccc2C)c2cc(OCCCC)ccc2C)c1.
What is the InChIKey of CID 68585474?
The InChIKey is DDGWVAKZBKCYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60O5Si2/c1-9-13-25-45-37-21-17-33(5)41(29-37)50(42-30-38(22-18-34(42)6)46-26-14-10-2)49-51(43-31-39(23-19-35(43)7)47-27-15-11-3)44-32-40(24-20-36(44)8)48-28-16-12-4/h17-24,29-32H,9-16,25-28H2,1-8H3.
What are the key properties of CID 68585474?
CID 68585474 has a molecular weight of 725.13 g/mol, XLogP of 8.56, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68585474 is sourced from PubChem (CID 68585474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).