2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane

C17H20O2 — CID 116524402

IUPAC2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
SMILESCC1(C)CCC(COc2cccc3ccccc23)O1
InChIInChI=1S/C17H20O2/c1-17(2)11-10-14(19-17)12-18-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14H,10-12H2,1-2H3
InChIKeyCTUPJZZYKARUSO-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.18
Rot. Bonds3

About 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane

2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane (PubChem CID 116524402) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane.

Molecular Properties

Compound Name2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
PubChem CID116524402
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
SMILESCC1(C)CCC(COc2cccc3ccccc23)O1
InChIInChI=1S/C17H20O2/c1-17(2)11-10-14(19-17)12-18-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14H,10-12H2,1-2H3
InChIKeyCTUPJZZYKARUSO-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
CID 116522447
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
CID 116520606
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzaldehyde
CID 116521952
8-[(5,5-dimethyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 116522225
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
CID 116520653
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
CID 116522398
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane?
The IUPAC name of 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane (CID 116524402) is 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane.
What is the SMILES notation for 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane?
The canonical SMILES for 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane is CC1(C)CCC(COc2cccc3ccccc23)O1.
What is the InChIKey of 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane?
The InChIKey is CTUPJZZYKARUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-17(2)11-10-14(19-17)12-18-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14H,10-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane?
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane has a molecular weight of 256.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane is sourced from PubChem (CID 116524402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).