5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin

C32H58Sn2 — CID 141310885

IUPAC5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1ccc([Sn]C(CCCC)(CCCC)CCCC)cc1
InChIInChI=1S/2C13H27.C6H4.2Sn/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-6-5-3-1;;/h2*4-12H2,1-3H3;1-2,5-6H;;
InChIKeyCGFUBBHGRJAQQL-UHFFFAOYSA-N
MW680.24 g/mol
LogP9.80
Rot. Bonds22

About 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin

5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin (PubChem CID 141310885) has the molecular formula C32H58Sn2 and a molecular weight of 680.24 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin
PubChem CID141310885
Molecular FormulaC32H58Sn2
Molecular Weight680.24 g/mol
Exact Mass682.26
IUPAC Name5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1ccc([Sn]C(CCCC)(CCCC)CCCC)cc1
InChIInChI=1S/2C13H27.C6H4.2Sn/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-6-5-3-1;;/h2*4-12H2,1-3H3;1-2,5-6H;;
InChIKeyCGFUBBHGRJAQQL-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.24
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-butylnonan-5-yl-(4-ethoxycarbonylphenyl)tin
CID 141056830
5-butylnonan-5-yl(1,2-oxazol-5-yl)tin
CID 141218292
5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin
CID 141038225
5-butylnonan-5-yl-(3-methoxythiophen-2-yl)tin
CID 141423609
5-butylnonan-5-yl-[2-(5-butylnonan-5-yl-λ2-stannanyl)thieno[2,3-f][1]benzothiol-6-yl]tin
CID 141292242
1-benzofuran-2-yl(5-butylnonan-5-yl)tin
CID 141133394
5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin
CID 169099321
5-butylnonan-5-yl-(4-methoxy-2-pyridinyl)tin
CID 141269215
5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin
CID 140986624
5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin
CID 140997584
(5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin
CID 176893776
(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-(5-butylnonan-5-yl)tin
CID 141011217

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin?
The IUPAC name of 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin (CID 141310885) is 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin is CCCCC(CCCC)(CCCC)[Sn]c1ccc([Sn]C(CCCC)(CCCC)CCCC)cc1.
What is the InChIKey of 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin?
The InChIKey is CGFUBBHGRJAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27.C6H4.2Sn/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-6-5-3-1;;/h2*4-12H2,1-3H3;1-2,5-6H;;.
What are the key properties of 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin?
5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin has a molecular weight of 680.24 g/mol, XLogP of 9.80, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin is sourced from PubChem (CID 141310885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).