butyl(methyl)tin;cyclohexyloxycyclohexane

C17H34OSn — CID 87393357

IUPACbutyl(methyl)tin;cyclohexyloxycyclohexane
SMILESC1CCC(OC2CCCCC2)CC1.CCCC[Sn]C
InChIInChI=1S/C12H22O.C4H9.CH3.Sn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2;;/h11-12H,1-10H2;1,3-4H2,2H3;1H3;
InChIKeyBSRGSGDXYVCCMH-UHFFFAOYSA-N
MW373.17 g/mol
LogP5.63
Rot. Bonds5

About butyl(methyl)tin;cyclohexyloxycyclohexane

butyl(methyl)tin;cyclohexyloxycyclohexane (PubChem CID 87393357) has the molecular formula C17H34OSn and a molecular weight of 373.17 g/mol. Its IUPAC name is butyl(methyl)tin;cyclohexyloxycyclohexane.

Molecular Properties

Compound Namebutyl(methyl)tin;cyclohexyloxycyclohexane
PubChem CID87393357
Molecular FormulaC17H34OSn
Molecular Weight373.17 g/mol
Exact Mass374.16
IUPAC Namebutyl(methyl)tin;cyclohexyloxycyclohexane
SMILESC1CCC(OC2CCCCC2)CC1.CCCC[Sn]C
InChIInChI=1S/C12H22O.C4H9.CH3.Sn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2;;/h11-12H,1-10H2;1,3-4H2,2H3;1H3;
InChIKeyBSRGSGDXYVCCMH-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.17
LogP ≤ 55.63
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

cyclohexyloxycyclohexane;dibutyltin
CID 87393205
butyl(methyl)tin;1-heptoxyheptane
CID 87375553
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
heptane;methoxycyclopentane
CID 131735357
CID 173424592
CID 173424592
cyclohexyl-dodecyl-methylsulfanium
CID 158523426
tributyl(cyclohexyloxy)phosphanium
CID 23415292
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728

Frequently Asked Questions

What is the IUPAC name of butyl(methyl)tin;cyclohexyloxycyclohexane?
The IUPAC name of butyl(methyl)tin;cyclohexyloxycyclohexane (CID 87393357) is butyl(methyl)tin;cyclohexyloxycyclohexane.
What is the SMILES notation for butyl(methyl)tin;cyclohexyloxycyclohexane?
The canonical SMILES for butyl(methyl)tin;cyclohexyloxycyclohexane is C1CCC(OC2CCCCC2)CC1.CCCC[Sn]C.
What is the InChIKey of butyl(methyl)tin;cyclohexyloxycyclohexane?
The InChIKey is BSRGSGDXYVCCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C4H9.CH3.Sn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2;;/h11-12H,1-10H2;1,3-4H2,2H3;1H3;.
What are the key properties of butyl(methyl)tin;cyclohexyloxycyclohexane?
butyl(methyl)tin;cyclohexyloxycyclohexane has a molecular weight of 373.17 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(methyl)tin;cyclohexyloxycyclohexane is sourced from PubChem (CID 87393357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).