2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane

C29H28O4 — CID 156790199

IUPAC2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
SMILESCC(C)(c1c(OCC2CO2)ccc2ccccc12)c1c(OCC2CO2)ccc2ccccc12
InChIInChI=1S/C29H28O4/c1-29(2,27-23-9-5-3-7-19(23)11-13-25(27)32-17-21-15-30-21)28-24-10-6-4-8-20(24)12-14-26(28)33-18-22-16-31-22/h3-14,21-22H,15-18H2,1-2H3
InChIKeySBENXDCMCVCPTA-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.87
Rot. Bonds8

About 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane

2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane (PubChem CID 156790199) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
PubChem CID156790199
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
SMILESCC(C)(c1c(OCC2CO2)ccc2ccccc12)c1c(OCC2CO2)ccc2ccccc12
InChIInChI=1S/C29H28O4/c1-29(2,27-23-9-5-3-7-19(23)11-13-25(27)32-17-21-15-30-21)28-24-10-6-4-8-20(24)12-14-26(28)33-18-22-16-31-22/h3-14,21-22H,15-18H2,1-2H3
InChIKeySBENXDCMCVCPTA-UHFFFAOYSA-N
XLogP5.87
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 118360921
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
2-[[4-[bis[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 19089002
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-[[4-(oxiran-2-ylmethoxy)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-yl]oxymethyl]oxirane
CID 156865199
2-[[2-methyl-4-[[10-[[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]anthracen-9-yl]methyl]phenoxy]methyl]oxirane
CID 157341670
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
CID 22999320

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane (CID 156790199) is 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane is CC(C)(c1c(OCC2CO2)ccc2ccccc12)c1c(OCC2CO2)ccc2ccccc12.
What is the InChIKey of 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is SBENXDCMCVCPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4/c1-29(2,27-23-9-5-3-7-19(23)11-13-25(27)32-17-21-15-30-21)28-24-10-6-4-8-20(24)12-14-26(28)33-18-22-16-31-22/h3-14,21-22H,15-18H2,1-2H3.
What are the key properties of 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane?
2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 440.54 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 156790199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).