tributyl-(6-methylcyclohexen-1-yl)stannane

C19H38Sn — CID 13442033

IUPACtributyl-(6-methylcyclohexen-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CCCCC1C
InChIInChI=1S/C7H11.3C4H9.Sn/c1-7-5-3-2-4-6-7;3*1-3-4-2;/h3,7H,2,4,6H2,1H3;3*1,3-4H2,2H3;
InChIKeyLWWGOACBEWVKAP-UHFFFAOYSA-N
MW385.22 g/mol
LogP7.12
Rot. Bonds10

About tributyl-(6-methylcyclohexen-1-yl)stannane

tributyl-(6-methylcyclohexen-1-yl)stannane (PubChem CID 13442033) has the molecular formula C19H38Sn and a molecular weight of 385.22 g/mol. Its IUPAC name is tributyl-(6-methylcyclohexen-1-yl)stannane.

Molecular Properties

Compound Nametributyl-(6-methylcyclohexen-1-yl)stannane
PubChem CID13442033
Molecular FormulaC19H38Sn
Molecular Weight385.22 g/mol
Exact Mass386.20
IUPAC Nametributyl-(6-methylcyclohexen-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CCCCC1C
InChIInChI=1S/C7H11.3C4H9.Sn/c1-7-5-3-2-4-6-7;3*1-3-4-2;/h3,7H,2,4,6H2,1H3;3*1,3-4H2,2H3;
InChIKeyLWWGOACBEWVKAP-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.22
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(-)-Cembrene A
CID 5281384
3-Methyl-1,2-didehydro-2,3-dihydrosqualene
CID 70679146
Somaliensene B
CID 139589961
(R)-tetraprenyl-beta-curcumene
CID 57339299
Cembrene A (711293 K111)
CID 5384141
1,5,9-Cyclotetradecatriene, 13-isopropenyl-2,6,10-trimethyl-, (-)-
CID 11208039
Tetrahydrosqualene
CID 42608282
Cyclohexene, 3-(1-hexenyl)-, (E)-
CID 5358331
(6Z,10E,14Z,18E)-2,3,6,10,15,19,23-heptamethyltetracosa-1,6,10,14,18,22-hexaene
CID 90658917
Axinyssene
CID 10912665
1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-
CID 328947
(2E)-alpha-Cericerene
CID 169492836

Frequently Asked Questions

What is the IUPAC name of tributyl-(6-methylcyclohexen-1-yl)stannane?
The IUPAC name of tributyl-(6-methylcyclohexen-1-yl)stannane (CID 13442033) is tributyl-(6-methylcyclohexen-1-yl)stannane.
What is the SMILES notation for tributyl-(6-methylcyclohexen-1-yl)stannane?
The canonical SMILES for tributyl-(6-methylcyclohexen-1-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1=CCCCC1C.
What is the InChIKey of tributyl-(6-methylcyclohexen-1-yl)stannane?
The InChIKey is LWWGOACBEWVKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11.3C4H9.Sn/c1-7-5-3-2-4-6-7;3*1-3-4-2;/h3,7H,2,4,6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-methylcyclohexen-1-yl)stannane?
tributyl-(6-methylcyclohexen-1-yl)stannane has a molecular weight of 385.22 g/mol, XLogP of 7.12, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-methylcyclohexen-1-yl)stannane is sourced from PubChem (CID 13442033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).