(4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane

C32H36O5 — CID 67846326

IUPAC(4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
SMILESc1ccc(COC[C@H]2CO[C@@]3(CCC[C@H](c4ccccc4)O3)[C@@]3(CCC[C@H](c4ccccc4)O3)O2)cc1
InChIInChI=1S/C32H36O5/c1-4-12-25(13-5-1)22-33-23-28-24-34-31(20-10-18-29(36-31)26-14-6-2-7-15-26)32(35-28)21-11-19-30(37-32)27-16-8-3-9-17-27/h1-9,12-17,28-30H,10-11,18-24H2/t28-,29+,30+,31+,32-/m0/s1
InChIKeyCZBACGVLLUNJBC-ILNWVHSXSA-N
MW500.64 g/mol
LogP6.89
Rot. Bonds6

About (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane

(4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane (PubChem CID 67846326) has the molecular formula C32H36O5 and a molecular weight of 500.64 g/mol. Its IUPAC name is (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane.

Molecular Properties

Compound Name(4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
PubChem CID67846326
Molecular FormulaC32H36O5
Molecular Weight500.64 g/mol
Exact Mass500.26
IUPAC Name(4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
SMILESc1ccc(COC[C@H]2CO[C@@]3(CCC[C@H](c4ccccc4)O3)[C@@]3(CCC[C@H](c4ccccc4)O3)O2)cc1
InChIInChI=1S/C32H36O5/c1-4-12-25(13-5-1)22-33-23-28-24-34-31(20-10-18-29(36-31)26-14-6-2-7-15-26)32(35-28)21-11-19-30(37-32)27-16-8-3-9-17-27/h1-9,12-17,28-30H,10-11,18-24H2/t28-,29+,30+,31+,32-/m0/s1
InChIKeyCZBACGVLLUNJBC-ILNWVHSXSA-N
XLogP6.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane with MolForge

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Related Compounds

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oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
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trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
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(2R)-2-(phenylmethoxymethoxymethyl)oxirane
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CID 106364286
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Frequently Asked Questions

What is the IUPAC name of (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane?
The IUPAC name of (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane (CID 67846326) is (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane.
What is the SMILES notation for (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane?
The canonical SMILES for (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane is c1ccc(COC[C@H]2CO[C@@]3(CCC[C@H](c4ccccc4)O3)[C@@]3(CCC[C@H](c4ccccc4)O3)O2)cc1.
What is the InChIKey of (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane?
The InChIKey is CZBACGVLLUNJBC-ILNWVHSXSA-N. The full InChI is InChI=1S/C32H36O5/c1-4-12-25(13-5-1)22-33-23-28-24-34-31(20-10-18-29(36-31)26-14-6-2-7-15-26)32(35-28)21-11-19-30(37-32)27-16-8-3-9-17-27/h1-9,12-17,28-30H,10-11,18-24H2/t28-,29+,30+,31+,32-/m0/s1.
What are the key properties of (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane?
(4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane has a molecular weight of 500.64 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,7R,11R,14S)-4,11-diphenyl-14-(phenylmethoxymethyl)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane is sourced from PubChem (CID 67846326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).