cyclohexyloxycyclohexane;dibutyltin

C20H40OSn — CID 87393205

IUPACcyclohexyloxycyclohexane;dibutyltin
SMILESC1CCC(OC2CCCCC2)CC1.CCCC[Sn]CCCC
InChIInChI=1S/C12H22O.2C4H9.Sn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-3-4-2;/h11-12H,1-10H2;2*1,3-4H2,2H3;
InChIKeyINWMJEFPLQQVBS-UHFFFAOYSA-N
MW415.25 g/mol
LogP6.80
Rot. Bonds8

About cyclohexyloxycyclohexane;dibutyltin

cyclohexyloxycyclohexane;dibutyltin (PubChem CID 87393205) has the molecular formula C20H40OSn and a molecular weight of 415.25 g/mol. Its IUPAC name is cyclohexyloxycyclohexane;dibutyltin.

Molecular Properties

Compound Namecyclohexyloxycyclohexane;dibutyltin
PubChem CID87393205
Molecular FormulaC20H40OSn
Molecular Weight415.25 g/mol
Exact Mass416.21
IUPAC Namecyclohexyloxycyclohexane;dibutyltin
SMILESC1CCC(OC2CCCCC2)CC1.CCCC[Sn]CCCC
InChIInChI=1S/C12H22O.2C4H9.Sn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-3-4-2;/h11-12H,1-10H2;2*1,3-4H2,2H3;
InChIKeyINWMJEFPLQQVBS-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.25
LogP ≤ 56.80
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

butyl(methyl)tin;cyclohexyloxycyclohexane
CID 87393357
dibutyltin
CID 6484
heptane;methoxycyclopentane
CID 131735357
dibutyltin;1-heptoxyheptane
CID 87183821
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
dibutyltin;λ2-stannane
CID 174939385
1-butoxybutane;dibutyltin
CID 87184018
chloro hypochlorite;dibutyltin
CID 87460481
cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin
CID 86584271
CID 173424592
CID 173424592
cyclohexyl 2-hydroxyethanedithioate;dibutyltin
CID 88780816

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxycyclohexane;dibutyltin?
The IUPAC name of cyclohexyloxycyclohexane;dibutyltin (CID 87393205) is cyclohexyloxycyclohexane;dibutyltin.
What is the SMILES notation for cyclohexyloxycyclohexane;dibutyltin?
The canonical SMILES for cyclohexyloxycyclohexane;dibutyltin is C1CCC(OC2CCCCC2)CC1.CCCC[Sn]CCCC.
What is the InChIKey of cyclohexyloxycyclohexane;dibutyltin?
The InChIKey is INWMJEFPLQQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.2C4H9.Sn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-3-4-2;/h11-12H,1-10H2;2*1,3-4H2,2H3;.
What are the key properties of cyclohexyloxycyclohexane;dibutyltin?
cyclohexyloxycyclohexane;dibutyltin has a molecular weight of 415.25 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxycyclohexane;dibutyltin is sourced from PubChem (CID 87393205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).