(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane

C16H16O4 — CID 89326132

IUPAC(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
SMILESc1ccc2c(OC[C@@H]3CO3)cc(OC[C@H]3CO3)cc2c1
InChIInChI=1S/C16H16O4/c1-2-4-15-11(3-1)5-12(17-7-13-8-18-13)6-16(15)20-10-14-9-19-14/h1-6,13-14H,7-10H2/t13-,14-/m0/s1
InChIKeyJLBBZRWVDMCDLV-KBPBESRZSA-N
MW272.30 g/mol
LogP2.39
Rot. Bonds6

About (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane

(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane (PubChem CID 89326132) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
PubChem CID89326132
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
SMILESc1ccc2c(OC[C@@H]3CO3)cc(OC[C@H]3CO3)cc2c1
InChIInChI=1S/C16H16O4/c1-2-4-15-11(3-1)5-12(17-7-13-8-18-13)6-16(15)20-10-14-9-19-14/h1-6,13-14H,7-10H2/t13-,14-/m0/s1
InChIKeyJLBBZRWVDMCDLV-KBPBESRZSA-N
XLogP2.39
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.39
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

(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 163606468
3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane
CID 144830025
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 19089002
[4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 164777612
2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 156790199
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[3,5-bis(oxiran-2-ylmethoxy)-2-[3,5,7-tris[2,4,6-tris(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]phenoxy]methyl]oxirane
CID 87570733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane?
The IUPAC name of (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane (CID 89326132) is (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane.
What is the SMILES notation for (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane?
The canonical SMILES for (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane is c1ccc2c(OC[C@@H]3CO3)cc(OC[C@H]3CO3)cc2c1.
What is the InChIKey of (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane?
The InChIKey is JLBBZRWVDMCDLV-KBPBESRZSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-4-15-11(3-1)5-12(17-7-13-8-18-13)6-16(15)20-10-14-9-19-14/h1-6,13-14H,7-10H2/t13-,14-/m0/s1.
What are the key properties of (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane?
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane has a molecular weight of 272.30 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane is sourced from PubChem (CID 89326132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).