(1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane

C18H24O5 — CID 129396252

IUPAC(1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane
SMILESc1ccc([C@@]23CCC[C@@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1
InChIInChI=1S/C18H24O5/c1-3-8-14(9-4-1)17-21-20-16-12-7-13-18(19-16,23-22-17)15-10-5-2-6-11-15/h2,5-6,10-11,14,16-17H,1,3-4,7-9,12-13H2/t16-,17-,18-/m1/s1
InChIKeyHSQFXKDGUVDNOX-KZNAEPCWSA-N
MW320.38 g/mol
LogP4.18
Rot. Bonds2

About (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane

(1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane (PubChem CID 129396252) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane.

Molecular Properties

Compound Name(1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane
PubChem CID129396252
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name(1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane
SMILESc1ccc([C@@]23CCC[C@@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1
InChIInChI=1S/C18H24O5/c1-3-8-14(9-4-1)17-21-20-16-12-7-13-18(19-16,23-22-17)15-10-5-2-6-11-15/h2,5-6,10-11,14,16-17H,1,3-4,7-9,12-13H2/t16-,17-,18-/m1/s1
InChIKeyHSQFXKDGUVDNOX-KZNAEPCWSA-N
XLogP4.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane with MolForge

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Related Compounds

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CID 10958483
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(4R)-4-cyclohexyl-2,5,5-triphenyl-1,3,2-oxazaborolidine
CID 59883196
cyclohexane;N-methyl-1-phenylcyclopropan-1-amine
CID 156796665
(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol
CID 129360239

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane?
The IUPAC name of (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane (CID 129396252) is (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane.
What is the SMILES notation for (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane?
The canonical SMILES for (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane is c1ccc([C@@]23CCC[C@@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1.
What is the InChIKey of (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane?
The InChIKey is HSQFXKDGUVDNOX-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H24O5/c1-3-8-14(9-4-1)17-21-20-16-12-7-13-18(19-16,23-22-17)15-10-5-2-6-11-15/h2,5-6,10-11,14,16-17H,1,3-4,7-9,12-13H2/t16-,17-,18-/m1/s1.
What are the key properties of (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane?
(1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane has a molecular weight of 320.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7R)-4-cyclohexyl-1-phenyl-2,3,5,6,11-pentaoxabicyclo[5.3.1]undecane is sourced from PubChem (CID 129396252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).