3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline

C28H44O2Si2 — CID 59096246

IUPAC3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline
SMILESCCCCCOc1c(C)ccc2c1[Si](C)(C)[Si](C)(C)c1c-2ccc(C)c1OCCCCC
InChIInChI=1S/C28H44O2Si2/c1-9-11-13-19-29-25-21(3)15-17-23-24-18-16-22(4)26(30-20-14-12-10-2)28(24)32(7,8)31(5,6)27(23)25/h15-18H,9-14,19-20H2,1-8H3
InChIKeyOKWUOUORMDCQDZ-UHFFFAOYSA-N
MW468.83 g/mol
LogP7.03
Rot. Bonds10

About 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline

3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline (PubChem CID 59096246) has the molecular formula C28H44O2Si2 and a molecular weight of 468.83 g/mol. Its IUPAC name is 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline.

Molecular Properties

Compound Name3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline
PubChem CID59096246
Molecular FormulaC28H44O2Si2
Molecular Weight468.83 g/mol
Exact Mass468.29
IUPAC Name3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline
SMILESCCCCCOc1c(C)ccc2c1[Si](C)(C)[Si](C)(C)c1c-2ccc(C)c1OCCCCC
InChIInChI=1S/C28H44O2Si2/c1-9-11-13-19-29-25-21(3)15-17-23-24-18-16-22(4)26(30-20-14-12-10-2)28(24)32(7,8)31(5,6)27(23)25/h15-18H,9-14,19-20H2,1-8H3
InChIKeyOKWUOUORMDCQDZ-UHFFFAOYSA-N
XLogP7.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.83
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-decoxy-1,3-dimethylbenzene
CID 83057478
3,7-dimethyl-4,6-dioctoxydibenzothiophene
CID 58849581
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CID 121308594
1-ethenyl-3-methyl-2-octoxybenzene
CID 174464142
N-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine;hydrochloride
CID 2866081
(4-methyl-2,3-dioctadecoxyphenyl)-phenylmethanone
CID 90306880
(2-decoxy-3-methylphenyl)methanol
CID 115956202
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene
CID 118188447
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
9,10-dioctoxyanthracene
CID 21304201

Frequently Asked Questions

What is the IUPAC name of 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline?
The IUPAC name of 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline (CID 59096246) is 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline.
What is the SMILES notation for 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline?
The canonical SMILES for 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline is CCCCCOc1c(C)ccc2c1[Si](C)(C)[Si](C)(C)c1c-2ccc(C)c1OCCCCC.
What is the InChIKey of 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline?
The InChIKey is OKWUOUORMDCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si2/c1-9-11-13-19-29-25-21(3)15-17-23-24-18-16-22(4)26(30-20-14-12-10-2)28(24)32(7,8)31(5,6)27(23)25/h15-18H,9-14,19-20H2,1-8H3.
What are the key properties of 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline?
3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline has a molecular weight of 468.83 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,6,6,8-hexamethyl-4,7-dipentoxybenzo[c][1,2]benzodisiline is sourced from PubChem (CID 59096246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).