CID 90280951

C22H31OSn — CID 90280951

IUPAC—
SMILESCCCCc1c(CCCC)c(O[Sn])c2ccccc2c1CCCC
InChIInChI=1S/C22H32O.Sn/c1-4-7-12-17-18(13-8-5-2)20(14-9-6-3)22(23)21-16-11-10-15-19(17)21;/h10-11,15-16,23H,4-9,12-14H2,1-3H3;/q;+1/p-1
InChIKeyFIVKJIJHSOMVBP-UHFFFAOYSA-M
MW430.20 g/mol
LogP6.33
Rot. Bonds10

About CID 90280951

CID 90280951 (PubChem CID 90280951) has the molecular formula C22H31OSn and a molecular weight of 430.20 g/mol.

Molecular Properties

Compound NameCID 90280951
PubChem CID90280951
Molecular FormulaC22H31OSn
Molecular Weight430.20 g/mol
Exact Mass431.14
IUPAC Name—
SMILESCCCCc1c(CCCC)c(O[Sn])c2ccccc2c1CCCC
InChIInChI=1S/C22H32O.Sn/c1-4-7-12-17-18(13-8-5-2)20(14-9-6-3)22(23)21-16-11-10-15-19(17)21;/h10-11,15-16,23H,4-9,12-14H2,1-3H3;/q;+1/p-1
InChIKeyFIVKJIJHSOMVBP-UHFFFAOYSA-M
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.20
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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9-butyl-10-methylanthracene
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1,2,3,4,6,11-hexabutyltetracene
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1,2,3,4-tetrabutylpentacene
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6,11-dibutyl-1,2,3,4-tetraethyltetracene
CID 58766221
3,4-dibutylnaphthalene-1,2-dicarboxylic acid
CID 19809825
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
1,2,3-tributyl-5-methyl-4-propylnaphthalene
CID 139700890
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
ethane;9-methyl-10-propylanthracene
CID 144649779
CID 173004407
CID 173004407
3,4-dibutyl-1-methylisoquinoline
CID 71619287

Frequently Asked Questions

What is the IUPAC name of CID 90280951?
The IUPAC name of CID 90280951 (CID 90280951) is not available.
What is the SMILES notation for CID 90280951?
The canonical SMILES for CID 90280951 is CCCCc1c(CCCC)c(O[Sn])c2ccccc2c1CCCC.
What is the InChIKey of CID 90280951?
The InChIKey is FIVKJIJHSOMVBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H32O.Sn/c1-4-7-12-17-18(13-8-5-2)20(14-9-6-3)22(23)21-16-11-10-15-19(17)21;/h10-11,15-16,23H,4-9,12-14H2,1-3H3;/q;+1/p-1.
What are the key properties of CID 90280951?
CID 90280951 has a molecular weight of 430.20 g/mol, XLogP of 6.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90280951 is sourced from PubChem (CID 90280951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).