(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane

C28H28O6 — CID 122215081

IUPAC(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane
SMILESCOCOc1ccc2ccccc2c1-c1c(OCOC)ccc2cc(COC[C@H]3CO3)ccc12
InChIInChI=1S/C28H28O6/c1-29-17-33-25-11-8-20-5-3-4-6-23(20)27(25)28-24-10-7-19(14-31-15-22-16-32-22)13-21(24)9-12-26(28)34-18-30-2/h3-13,22H,14-18H2,1-2H3/t22-/m0/s1
InChIKeyBTJWXWCGLGGHEM-QFIPXVFZSA-N
MW460.53 g/mol
LogP5.54
Rot. Bonds11

About (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane

(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane (PubChem CID 122215081) has the molecular formula C28H28O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane
PubChem CID122215081
Molecular FormulaC28H28O6
Molecular Weight460.53 g/mol
Exact Mass460.19
IUPAC Name(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane
SMILESCOCOc1ccc2ccccc2c1-c1c(OCOC)ccc2cc(COC[C@H]3CO3)ccc12
InChIInChI=1S/C28H28O6/c1-29-17-33-25-11-8-20-5-3-4-6-23(20)27(25)28-24-10-7-19(14-31-15-22-16-32-22)13-21(24)9-12-26(28)34-18-30-2/h3-13,22H,14-18H2,1-2H3/t22-/m0/s1
InChIKeyBTJWXWCGLGGHEM-QFIPXVFZSA-N
XLogP5.54
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane?
The IUPAC name of (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane (CID 122215081) is (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane?
The canonical SMILES for (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane is COCOc1ccc2ccccc2c1-c1c(OCOC)ccc2cc(COC[C@H]3CO3)ccc12.
What is the InChIKey of (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane?
The InChIKey is BTJWXWCGLGGHEM-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H28O6/c1-29-17-33-25-11-8-20-5-3-4-6-23(20)27(25)28-24-10-7-19(14-31-15-22-16-32-22)13-21(24)9-12-26(28)34-18-30-2/h3-13,22H,14-18H2,1-2H3/t22-/m0/s1.
What are the key properties of (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane?
(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane has a molecular weight of 460.53 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane is sourced from PubChem (CID 122215081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).