CID 68585284

C44H60O5Si2 — CID 68585284

IUPAC—
SMILESCCCCOc1cccc(C)c1[Si](O[Si](c1c(C)cccc1OCCCC)c1c(C)cccc1OCCCC)c1c(C)cccc1OCCCC
InChIInChI=1S/C44H60O5Si2/c1-9-13-29-45-37-25-17-21-33(5)41(37)50(42-34(6)22-18-26-38(42)46-30-14-10-2)49-51(43-35(7)23-19-27-39(43)47-31-15-11-3)44-36(8)24-20-28-40(44)48-32-16-12-4/h17-28H,9-16,29-32H2,1-8H3
InChIKeyISVLFSFQSSELMM-UHFFFAOYSA-N
MW725.13 g/mol
LogP8.56
Rot. Bonds22

About CID 68585284

CID 68585284 (PubChem CID 68585284) has the molecular formula C44H60O5Si2 and a molecular weight of 725.13 g/mol.

Molecular Properties

Compound NameCID 68585284
PubChem CID68585284
Molecular FormulaC44H60O5Si2
Molecular Weight725.13 g/mol
Exact Mass724.40
IUPAC Name—
SMILESCCCCOc1cccc(C)c1[Si](O[Si](c1c(C)cccc1OCCCC)c1c(C)cccc1OCCCC)c1c(C)cccc1OCCCC
InChIInChI=1S/C44H60O5Si2/c1-9-13-29-45-37-25-17-21-33(5)41(37)50(42-34(6)22-18-26-38(42)46-30-14-10-2)49-51(43-35(7)23-19-27-39(43)47-31-15-11-3)44-36(8)24-20-28-40(44)48-32-16-12-4/h17-28H,9-16,29-32H2,1-8H3
InChIKeyISVLFSFQSSELMM-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

CID 68585929
CID 68585929
1,3-dibutoxy-2-methylbenzene
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1-bromo-3-butoxy-2-methylbenzene
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ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
CID 68585474
CID 68585474
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
CID 107661426
1-butoxynaphthalene
CID 13262700
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934

Frequently Asked Questions

What is the IUPAC name of CID 68585284?
The IUPAC name of CID 68585284 (CID 68585284) is not available.
What is the SMILES notation for CID 68585284?
The canonical SMILES for CID 68585284 is CCCCOc1cccc(C)c1[Si](O[Si](c1c(C)cccc1OCCCC)c1c(C)cccc1OCCCC)c1c(C)cccc1OCCCC.
What is the InChIKey of CID 68585284?
The InChIKey is ISVLFSFQSSELMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60O5Si2/c1-9-13-29-45-37-25-17-21-33(5)41(37)50(42-34(6)22-18-26-38(42)46-30-14-10-2)49-51(43-35(7)23-19-27-39(43)47-31-15-11-3)44-36(8)24-20-28-40(44)48-32-16-12-4/h17-28H,9-16,29-32H2,1-8H3.
What are the key properties of CID 68585284?
CID 68585284 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 68585284 is sourced from PubChem (CID 68585284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).