bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin

C41H88O2Sn — CID 87392614

IUPACbis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
SMILESCCCCC(CC)COCC(CC)CCCC.CCCCC(CC)COCC(CC)CCCC.CCCCC(CC)C[Sn]C
InChIInChI=1S/2C16H34O.C8H17.CH3.Sn/c2*1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-4-6-7-8(3)5-2;;/h2*15-16H,5-14H2,1-4H3;8H,3-7H2,1-2H3;1H3;
InChIKeyOTIUFLUNGPXVGV-UHFFFAOYSA-N
MW731.86 g/mol
LogP14.24
Rot. Bonds30

About bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin

bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin (PubChem CID 87392614) has the molecular formula C41H88O2Sn and a molecular weight of 731.86 g/mol. Its IUPAC name is bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin.

Molecular Properties

Compound Namebis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
PubChem CID87392614
Molecular FormulaC41H88O2Sn
Molecular Weight731.86 g/mol
Exact Mass732.58
IUPAC Namebis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
SMILESCCCCC(CC)COCC(CC)CCCC.CCCCC(CC)COCC(CC)CCCC.CCCCC(CC)C[Sn]C
InChIInChI=1S/2C16H34O.C8H17.CH3.Sn/c2*1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-4-6-7-8(3)5-2;;/h2*15-16H,5-14H2,1-4H3;8H,3-7H2,1-2H3;1H3;
InChIKeyOTIUFLUNGPXVGV-UHFFFAOYSA-N
XLogP14.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
CID 88753128
CID 88753128
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
2-ethylhexoxymethanol
CID 18783221
3-(2-propan-2-yloxypropoxymethyl)heptane
CID 154279461
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
3-(prop-2-enoxymethyl)heptane
CID 3530837
1-ethoxy-2-(2-ethylhexoxy)ethanol
CID 175194303
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 170602401

Frequently Asked Questions

What is the IUPAC name of bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin?
The IUPAC name of bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin (CID 87392614) is bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin.
What is the SMILES notation for bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin?
The canonical SMILES for bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin is CCCCC(CC)COCC(CC)CCCC.CCCCC(CC)COCC(CC)CCCC.CCCCC(CC)C[Sn]C.
What is the InChIKey of bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin?
The InChIKey is OTIUFLUNGPXVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H34O.C8H17.CH3.Sn/c2*1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-4-6-7-8(3)5-2;;/h2*15-16H,5-14H2,1-4H3;8H,3-7H2,1-2H3;1H3;.
What are the key properties of bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin?
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin has a molecular weight of 731.86 g/mol, XLogP of 14.24, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin is sourced from PubChem (CID 87392614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).