1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)

C46H48O6 — CID 139194210

IUPAC1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
SMILESC1COCCOCCOCCO1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C19H16O.C8H16O4/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-10-5-6-12-8-7-11-4-3-9-1/h2*1-15,20H;1-8H2
InChIKeyKZGMOFCMVQMUGV-UHFFFAOYSA-N
MW696.88 g/mol
LogP8.01
Rot. Bonds6

About 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)

1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol) (PubChem CID 139194210) has the molecular formula C46H48O6 and a molecular weight of 696.88 g/mol. Its IUPAC name is 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol).

Molecular Properties

Compound Name1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
PubChem CID139194210
Molecular FormulaC46H48O6
Molecular Weight696.88 g/mol
Exact Mass696.35
IUPAC Name1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
SMILESC1COCCOCCOCCO1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C19H16O.C8H16O4/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-10-5-6-12-8-7-11-4-3-9-1/h2*1-15,20H;1-8H2
InChIKeyKZGMOFCMVQMUGV-UHFFFAOYSA-N
XLogP8.01
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.88
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 174537383
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3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol
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ethoxyethane;triphenylmethanol
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1-amino-2-morpholin-4-yl-1-phenylethanol
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CID 132501742
4-[hydroxy(diphenyl)methyl]benzamide
CID 125464922
[4-(2-iodoethyl)phenyl]-diphenylmethanol
CID 163674659
diphenylmethanediol;dihydrochloride
CID 174953837
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
CID 79134639
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)?
The IUPAC name of 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol) (CID 139194210) is 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol).
What is the SMILES notation for 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)?
The canonical SMILES for 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol) is C1COCCOCCOCCO1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)?
The InChIKey is KZGMOFCMVQMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16O.C8H16O4/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-10-5-6-12-8-7-11-4-3-9-1/h2*1-15,20H;1-8H2.
What are the key properties of 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)?
1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol) has a molecular weight of 696.88 g/mol, XLogP of 8.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol) is sourced from PubChem (CID 139194210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).