2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane

C19H22O4 — CID 123583235

IUPAC2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane
SMILESc1cc2ccc(COCC3CO3)cc2cc1CCOCC1CO1
InChIInChI=1S/C19H22O4/c1-3-16-4-2-15(9-21-11-19-13-23-19)8-17(16)7-14(1)5-6-20-10-18-12-22-18/h1-4,7-8,18-19H,5-6,9-13H2
InChIKeyKCVAFMFAMPWPCI-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.71
Rot. Bonds9

About 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane

2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane (PubChem CID 123583235) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane
PubChem CID123583235
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane
SMILESc1cc2ccc(COCC3CO3)cc2cc1CCOCC1CO1
InChIInChI=1S/C19H22O4/c1-3-16-4-2-15(9-21-11-19-13-23-19)8-17(16)7-14(1)5-6-20-10-18-12-22-18/h1-4,7-8,18-19H,5-6,9-13H2
InChIKeyKCVAFMFAMPWPCI-UHFFFAOYSA-N
XLogP2.71
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane
CID 170966113
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988
(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
CID 97180071
2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
CID 102548209
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
CID 97180114
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane
CID 142435994
(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane
CID 122215081
2-[3-(4-propylphenyl)propoxymethyl]oxirane
CID 160627488

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane?
The IUPAC name of 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane (CID 123583235) is 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane.
What is the SMILES notation for 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane?
The canonical SMILES for 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane is c1cc2ccc(COCC3CO3)cc2cc1CCOCC1CO1.
What is the InChIKey of 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane?
The InChIKey is KCVAFMFAMPWPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-16-4-2-15(9-21-11-19-13-23-19)8-17(16)7-14(1)5-6-20-10-18-12-22-18/h1-4,7-8,18-19H,5-6,9-13H2.
What are the key properties of 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane?
2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane has a molecular weight of 314.38 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane is sourced from PubChem (CID 123583235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).