(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane

C32H48O7 — CID 10768909

IUPAC(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane
SMILESCCCCCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OCCCCCC)c3)O2)cc(OC)c1OC
InChIInChI=1S/C32H48O7/c1-7-9-11-13-17-37-29-21-23(19-27(33-3)31(29)35-5)25-15-16-26(39-25)24-20-28(34-4)32(36-6)30(22-24)38-18-14-12-10-8-2/h19-22,25-26H,7-18H2,1-6H3/t25-,26-/m1/s1
InChIKeyFICJDAMMSYQXQZ-CLJLJLNGSA-N
MW544.73 g/mol
LogP8.23
Rot. Bonds18

About (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane

(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane (PubChem CID 10768909) has the molecular formula C32H48O7 and a molecular weight of 544.73 g/mol. Its IUPAC name is (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane.

Molecular Properties

Compound Name(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane
PubChem CID10768909
Molecular FormulaC32H48O7
Molecular Weight544.73 g/mol
Exact Mass544.34
IUPAC Name(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane
SMILESCCCCCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OCCCCCC)c3)O2)cc(OC)c1OC
InChIInChI=1S/C32H48O7/c1-7-9-11-13-17-37-29-21-23(19-27(33-3)31(29)35-5)25-15-16-26(39-25)24-20-28(34-4)32(36-6)30(22-24)38-18-14-12-10-8-2/h19-22,25-26H,7-18H2,1-6H3/t25-,26-/m1/s1
InChIKeyFICJDAMMSYQXQZ-CLJLJLNGSA-N
XLogP8.23
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.73
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane?
The IUPAC name of (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane (CID 10768909) is (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane.
What is the SMILES notation for (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane?
The canonical SMILES for (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane is CCCCCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OCCCCCC)c3)O2)cc(OC)c1OC.
What is the InChIKey of (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane?
The InChIKey is FICJDAMMSYQXQZ-CLJLJLNGSA-N. The full InChI is InChI=1S/C32H48O7/c1-7-9-11-13-17-37-29-21-23(19-27(33-3)31(29)35-5)25-15-16-26(39-25)24-20-28(34-4)32(36-6)30(22-24)38-18-14-12-10-8-2/h19-22,25-26H,7-18H2,1-6H3/t25-,26-/m1/s1.
What are the key properties of (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane?
(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane has a molecular weight of 544.73 g/mol, XLogP of 8.23, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane is sourced from PubChem (CID 10768909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).