2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane

C50H50O7 — CID 174090673

IUPAC2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane
SMILESCC1(Cc2ccc3cc(OCOc4ccc(Cc5ccc(OCOc6ccc7ccc(CC8(C)CO8)cc7c6)c(CC6CO6)c5)cc4CC4CO4)ccc3c2)CC1
InChIInChI=1S/C50H50O7/c1-49(15-16-49)26-35-4-8-39-22-43(12-10-38(39)20-35)53-31-55-47-13-5-33(18-41(47)24-45-28-51-45)17-34-6-14-48(42(19-34)25-46-29-52-46)56-32-54-44-11-9-37-7-3-36(21-40(37)23-44)27-50(2)30-57-50/h3-14,18-23,45-46H,15-17,24-32H2,1-2H3
InChIKeyAZGWAZDBRQYFQV-UHFFFAOYSA-N
MW762.94 g/mol
LogP9.97
Rot. Bonds18

About 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane

2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane (PubChem CID 174090673) has the molecular formula C50H50O7 and a molecular weight of 762.94 g/mol. Its IUPAC name is 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane
PubChem CID174090673
Molecular FormulaC50H50O7
Molecular Weight762.94 g/mol
Exact Mass762.36
IUPAC Name2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane
SMILESCC1(Cc2ccc3cc(OCOc4ccc(Cc5ccc(OCOc6ccc7ccc(CC8(C)CO8)cc7c6)c(CC6CO6)c5)cc4CC4CO4)ccc3c2)CC1
InChIInChI=1S/C50H50O7/c1-49(15-16-49)26-35-4-8-39-22-43(12-10-38(39)20-35)53-31-55-47-13-5-33(18-41(47)24-45-28-51-45)17-34-6-14-48(42(19-34)25-46-29-52-46)56-32-54-44-11-9-37-7-3-36(21-40(37)23-44)27-50(2)30-57-50/h3-14,18-23,45-46H,15-17,24-32H2,1-2H3
InChIKeyAZGWAZDBRQYFQV-UHFFFAOYSA-N
XLogP9.97
TPSA74.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.94
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane with MolForge

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Related Compounds

2-[[2-[[6-(cyclopropylmethoxy)naphthalen-2-yl]oxymethoxy]-5-[[4-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]phenyl]methyl]oxirane
CID 174090681
2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane
CID 174090668
3-[[6-[[3-(oxiran-2-ylmethyl)-4-[2-[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-ylmethyl)naphthalen-2-yl]oxymethoxy]phenyl]propan-2-yl]phenoxy]methoxy]naphthalen-2-yl]methyl]oxetane
CID 168857087
2-[[2-[2-(oxiran-2-ylmethyl)-4-propoxyphenoxy]-5-propoxyphenyl]methyl]oxirane
CID 163213102
2-[[4-[3-fluoro-4-[[4-(oxiran-2-ylmethyl)phenoxy]methoxy]phenyl]phenyl]methyl]oxirane
CID 59790718
2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane
CID 66334604
[3-methyl-4-[[4-(oxiran-2-ylmethyl)phenoxy]methoxy]phenyl] 4-(oxiran-2-ylmethyl)benzoate
CID 59790544
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-benzyl-6-(methoxymethoxy)naphthalene
CID 132602813
2-[[3-methyl-6-[[3-[[7-methyl-3-(oxiran-2-ylmethoxy)naphthalen-2-yl]methyl]phenyl]methyl]naphthalen-2-yl]oxymethyl]oxirane
CID 20578598
2-[[2,5-bis[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 54565634
4-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)aniline
CID 87864519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane?
The IUPAC name of 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane (CID 174090673) is 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane.
What is the SMILES notation for 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane?
The canonical SMILES for 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane is CC1(Cc2ccc3cc(OCOc4ccc(Cc5ccc(OCOc6ccc7ccc(CC8(C)CO8)cc7c6)c(CC6CO6)c5)cc4CC4CO4)ccc3c2)CC1.
What is the InChIKey of 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane?
The InChIKey is AZGWAZDBRQYFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50O7/c1-49(15-16-49)26-35-4-8-39-22-43(12-10-38(39)20-35)53-31-55-47-13-5-33(18-41(47)24-45-28-51-45)17-34-6-14-48(42(19-34)25-46-29-52-46)56-32-54-44-11-9-37-7-3-36(21-40(37)23-44)27-50(2)30-57-50/h3-14,18-23,45-46H,15-17,24-32H2,1-2H3.
What are the key properties of 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane?
2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane has a molecular weight of 762.94 g/mol, XLogP of 9.97, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[7-[[4-[[4-[[6-[(1-methylcyclopropyl)methyl]naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]-2-(oxiran-2-ylmethyl)phenoxy]methoxy]naphthalen-2-yl]methyl]oxirane is sourced from PubChem (CID 174090673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).