CID 87991691

C16H34Sn+ — CID 87991691

IUPAC—
SMILESCCCCC(CC)C[Sn+]CC(CC)CCCC
InChIInChI=1S/2C8H17.Sn/c2*1-4-6-7-8(3)5-2;/h2*8H,3-7H2,1-2H3;/q;;+1
InChIKeyMZJCMFZTBKIDRO-UHFFFAOYSA-N
MW345.16 g/mol
LogP5.96
Rot. Bonds12

About CID 87991691

CID 87991691 (PubChem CID 87991691) has the molecular formula C16H34Sn+ and a molecular weight of 345.16 g/mol.

Molecular Properties

Compound NameCID 87991691
PubChem CID87991691
Molecular FormulaC16H34Sn+
Molecular Weight345.16 g/mol
Exact Mass346.17
IUPAC Name—
SMILESCCCCC(CC)C[Sn+]CC(CC)CCCC
InChIInChI=1S/2C8H17.Sn/c2*1-4-6-7-8(3)5-2;/h2*8H,3-7H2,1-2H3;/q;;+1
InChIKeyMZJCMFZTBKIDRO-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.16
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 6999997
3-ethylpentacosane
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3-ethyloctane;propane
CID 143682929
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109

Frequently Asked Questions

What is the IUPAC name of CID 87991691?
The IUPAC name of CID 87991691 (CID 87991691) is not available.
What is the SMILES notation for CID 87991691?
The canonical SMILES for CID 87991691 is CCCCC(CC)C[Sn+]CC(CC)CCCC.
What is the InChIKey of CID 87991691?
The InChIKey is MZJCMFZTBKIDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.Sn/c2*1-4-6-7-8(3)5-2;/h2*8H,3-7H2,1-2H3;/q;;+1.
What are the key properties of CID 87991691?
CID 87991691 has a molecular weight of 345.16 g/mol, XLogP of 5.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87991691 is sourced from PubChem (CID 87991691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).