5-tributylstannylhexan-3-one

C18H38OSn — CID 14250102

IUPAC5-tributylstannylhexan-3-one
SMILESCCCC[Sn](CCCC)(CCCC)C(C)CC(=O)CC
InChIInChI=1S/C6H11O.3C4H9.Sn/c1-3-5-6(7)4-2;3*1-3-4-2;/h3H,4-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyQCCQQXMQRGXOKQ-UHFFFAOYSA-N
MW389.21 g/mol
LogP6.59
Rot. Bonds13

About 5-tributylstannylhexan-3-one

5-tributylstannylhexan-3-one (PubChem CID 14250102) has the molecular formula C18H38OSn and a molecular weight of 389.21 g/mol. Its IUPAC name is 5-tributylstannylhexan-3-one.

Molecular Properties

Compound Name5-tributylstannylhexan-3-one
PubChem CID14250102
Molecular FormulaC18H38OSn
Molecular Weight389.21 g/mol
Exact Mass390.19
IUPAC Name5-tributylstannylhexan-3-one
SMILESCCCC[Sn](CCCC)(CCCC)C(C)CC(=O)CC
InChIInChI=1S/C6H11O.3C4H9.Sn/c1-3-5-6(7)4-2;3*1-3-4-2;/h3H,4-5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyQCCQQXMQRGXOKQ-UHFFFAOYSA-N
XLogP6.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.21
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tributyl(hexan-2-yl)stannane
CID 88731679
5-methylnonane-3,7-dione
CID 58421184
(1R)-2-methyl-1-tributylstannylpropan-1-ol
CID 71355540
(5S)-5-hydroxydecan-3-one
CID 102362310
(5R)-5-methylheptan-3-one
CID 6566014
4-methyloctane-3,6-dione
CID 14711976
(2R,3S)-3-tributylstannyloctan-2-ol
CID 177407142
5-[tert-butyl(dimethyl)germyl]hexan-3-one
CID 101264597
6,10-dimethylpentadecan-8-one
CID 150688801
5-ethylsulfonylhexan-3-one
CID 140915853
tributyl(1-ethoxyethyl)stannane
CID 10926565
5-aminooctan-3-one
CID 116607745

Frequently Asked Questions

What is the IUPAC name of 5-tributylstannylhexan-3-one?
The IUPAC name of 5-tributylstannylhexan-3-one (CID 14250102) is 5-tributylstannylhexan-3-one.
What is the SMILES notation for 5-tributylstannylhexan-3-one?
The canonical SMILES for 5-tributylstannylhexan-3-one is CCCC[Sn](CCCC)(CCCC)C(C)CC(=O)CC.
What is the InChIKey of 5-tributylstannylhexan-3-one?
The InChIKey is QCCQQXMQRGXOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O.3C4H9.Sn/c1-3-5-6(7)4-2;3*1-3-4-2;/h3H,4-5H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 5-tributylstannylhexan-3-one?
5-tributylstannylhexan-3-one has a molecular weight of 389.21 g/mol, XLogP of 6.59, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tributylstannylhexan-3-one is sourced from PubChem (CID 14250102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).