butyl(methyl)tin;1-heptoxyheptane

C19H42OSn — CID 87375553

IUPACbutyl(methyl)tin;1-heptoxyheptane
SMILESCCCCCCCOCCCCCCC.CCCC[Sn]C
InChIInChI=1S/C14H30O.C4H9.CH3.Sn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-4-2;;/h3-14H2,1-2H3;1,3-4H2,2H3;1H3;
InChIKeyNYYMIRJYSAHFPH-UHFFFAOYSA-N
MW405.26 g/mol
LogP6.90
Rot. Bonds15

About butyl(methyl)tin;1-heptoxyheptane

butyl(methyl)tin;1-heptoxyheptane (PubChem CID 87375553) has the molecular formula C19H42OSn and a molecular weight of 405.26 g/mol. Its IUPAC name is butyl(methyl)tin;1-heptoxyheptane.

Molecular Properties

Compound Namebutyl(methyl)tin;1-heptoxyheptane
PubChem CID87375553
Molecular FormulaC19H42OSn
Molecular Weight405.26 g/mol
Exact Mass406.23
IUPAC Namebutyl(methyl)tin;1-heptoxyheptane
SMILESCCCCCCCOCCCCCCC.CCCC[Sn]C
InChIInChI=1S/C14H30O.C4H9.CH3.Sn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-4-2;;/h3-14H2,1-2H3;1,3-4H2,2H3;1H3;
InChIKeyNYYMIRJYSAHFPH-UHFFFAOYSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.26
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibutyltin;1-heptoxyheptane
CID 87183821
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of butyl(methyl)tin;1-heptoxyheptane?
The IUPAC name of butyl(methyl)tin;1-heptoxyheptane (CID 87375553) is butyl(methyl)tin;1-heptoxyheptane.
What is the SMILES notation for butyl(methyl)tin;1-heptoxyheptane?
The canonical SMILES for butyl(methyl)tin;1-heptoxyheptane is CCCCCCCOCCCCCCC.CCCC[Sn]C.
What is the InChIKey of butyl(methyl)tin;1-heptoxyheptane?
The InChIKey is NYYMIRJYSAHFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.C4H9.CH3.Sn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-4-2;;/h3-14H2,1-2H3;1,3-4H2,2H3;1H3;.
What are the key properties of butyl(methyl)tin;1-heptoxyheptane?
butyl(methyl)tin;1-heptoxyheptane has a molecular weight of 405.26 g/mol, XLogP of 6.90, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(methyl)tin;1-heptoxyheptane is sourced from PubChem (CID 87375553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).