acetyloxy(octyl)tin

C10H20O2Sn — CID 88684077

IUPACacetyloxy(octyl)tin
SMILESCCCCCCCC[Sn]OC(C)=O
InChIInChI=1S/C8H17.C2H4O2.Sn/c1-3-5-7-8-6-4-2;1-2(3)4;/h1,3-8H2,2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyBNVAINBRAZPYLB-UHFFFAOYSA-M
MW290.98 g/mol
LogP2.95
Rot. Bonds8

About acetyloxy(octyl)tin

acetyloxy(octyl)tin (PubChem CID 88684077) has the molecular formula C10H20O2Sn and a molecular weight of 290.98 g/mol. Its IUPAC name is acetyloxy(octyl)tin.

Molecular Properties

Compound Nameacetyloxy(octyl)tin
PubChem CID88684077
Molecular FormulaC10H20O2Sn
Molecular Weight290.98 g/mol
Exact Mass292.05
IUPAC Nameacetyloxy(octyl)tin
SMILESCCCCCCCC[Sn]OC(C)=O
InChIInChI=1S/C8H17.C2H4O2.Sn/c1-3-5-7-8-6-4-2;1-2(3)4;/h1,3-8H2,2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyBNVAINBRAZPYLB-UHFFFAOYSA-M
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.98
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecyl-(2-sulfanylacetyl)oxytin
CID 88522402
ethaneperoxoic acid;octane
CID 87879495
dodecyl(λ2-stannanyloxy)tin
CID 173054404
ethyl acetate;decakis(heptane)
CID 173339657
ethyl acetate;pentakis(heptane)
CID 173012961
dodecane;ethyl acetate
CID 173033257
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180
calcium;hydride;octadecyl acetate
CID 174802798
(2-methyl-2-octyldodecyl) acetate
CID 138503914
octane;propyl acetate
CID 174786724
9-octyloctadecan-9-yl acetate
CID 87256953

Frequently Asked Questions

What is the IUPAC name of acetyloxy(octyl)tin?
The IUPAC name of acetyloxy(octyl)tin (CID 88684077) is acetyloxy(octyl)tin.
What is the SMILES notation for acetyloxy(octyl)tin?
The canonical SMILES for acetyloxy(octyl)tin is CCCCCCCC[Sn]OC(C)=O.
What is the InChIKey of acetyloxy(octyl)tin?
The InChIKey is BNVAINBRAZPYLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17.C2H4O2.Sn/c1-3-5-7-8-6-4-2;1-2(3)4;/h1,3-8H2,2H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy(octyl)tin?
acetyloxy(octyl)tin has a molecular weight of 290.98 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(octyl)tin is sourced from PubChem (CID 88684077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).