2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane

C17H18O4 — CID 139834073

IUPAC2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
SMILESCc1cc(OCC2CO2)c2c(OCC3CO3)cccc2c1
InChIInChI=1S/C17H18O4/c1-11-5-12-3-2-4-15(20-9-13-7-18-13)17(12)16(6-11)21-10-14-8-19-14/h2-6,13-14H,7-10H2,1H3
InChIKeySMYVXKMUNGFVQK-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds6

About 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane

2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane (PubChem CID 139834073) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
PubChem CID139834073
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
SMILESCc1cc(OCC2CO2)c2c(OCC3CO3)cccc2c1
InChIInChI=1S/C17H18O4/c1-11-5-12-3-2-4-15(20-9-13-7-18-13)17(12)16(6-11)21-10-14-8-19-14/h2-6,13-14H,7-10H2,1H3
InChIKeySMYVXKMUNGFVQK-UHFFFAOYSA-N
XLogP2.70
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
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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Related Compounds

2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane
CID 139750661
3-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
CID 15020336
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
CID 20527563
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine
CID 142614191
2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 118360921
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane (CID 139834073) is 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane is Cc1cc(OCC2CO2)c2c(OCC3CO3)cccc2c1.
What is the InChIKey of 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane?
The InChIKey is SMYVXKMUNGFVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11-5-12-3-2-4-15(20-9-13-7-18-13)17(12)16(6-11)21-10-14-8-19-14/h2-6,13-14H,7-10H2,1H3.
What are the key properties of 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane?
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane has a molecular weight of 286.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane is sourced from PubChem (CID 139834073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).