2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane

C23H30O4 — CID 174792819

IUPAC2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane
SMILESCCC(OCC1CO1)c1ccc2ccc(C(CC)OCC3CO3)c(C)c2c1
InChIInChI=1S/C23H30O4/c1-4-22(26-13-18-11-24-18)17-7-6-16-8-9-20(15(3)21(16)10-17)23(5-2)27-14-19-12-25-19/h6-10,18-19,22-23H,4-5,11-14H2,1-3H3
InChIKeyWWEVOAQHZRZJCD-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.88
Rot. Bonds10

About 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane

2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane (PubChem CID 174792819) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane
PubChem CID174792819
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane
SMILESCCC(OCC1CO1)c1ccc2ccc(C(CC)OCC3CO3)c(C)c2c1
InChIInChI=1S/C23H30O4/c1-4-22(26-13-18-11-24-18)17-7-6-16-8-9-20(15(3)21(16)10-17)23(5-2)27-14-19-12-25-19/h6-10,18-19,22-23H,4-5,11-14H2,1-3H3
InChIKeyWWEVOAQHZRZJCD-UHFFFAOYSA-N
XLogP4.88
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane?
The IUPAC name of 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane (CID 174792819) is 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane.
What is the SMILES notation for 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane?
The canonical SMILES for 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane is CCC(OCC1CO1)c1ccc2ccc(C(CC)OCC3CO3)c(C)c2c1.
What is the InChIKey of 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane?
The InChIKey is WWEVOAQHZRZJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-4-22(26-13-18-11-24-18)17-7-6-16-8-9-20(15(3)21(16)10-17)23(5-2)27-14-19-12-25-19/h6-10,18-19,22-23H,4-5,11-14H2,1-3H3.
What are the key properties of 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane?
2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane has a molecular weight of 370.49 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-methyl-7-[1-(oxiran-2-ylmethoxy)propyl]naphthalen-2-yl]propoxymethyl]oxirane is sourced from PubChem (CID 174792819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).