5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane

C18H21ClO2 — CID 116522378

IUPAC5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(COc2ccc3ccccc3c2CCl)O1
InChIInChI=1S/C18H21ClO2/c1-18(2)10-9-14(21-18)12-20-17-8-7-13-5-3-4-6-15(13)16(17)11-19/h3-8,14H,9-12H2,1-2H3
InChIKeyRIBZOCLBNZHBLE-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.91
Rot. Bonds4

About 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane

5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane (PubChem CID 116522378) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
PubChem CID116522378
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(COc2ccc3ccccc3c2CCl)O1
InChIInChI=1S/C18H21ClO2/c1-18(2)10-9-14(21-18)12-20-17-8-7-13-5-3-4-6-15(13)16(17)11-19/h3-8,14H,9-12H2,1-2H3
InChIKeyRIBZOCLBNZHBLE-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
CID 116522398
4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
CID 62385709
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
CID 116520606
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
CID 116522447
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522374
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane (CID 116522378) is 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane is CC1(C)CCC(COc2ccc3ccccc3c2CCl)O1.
What is the InChIKey of 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane?
The InChIKey is RIBZOCLBNZHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-18(2)10-9-14(21-18)12-20-17-8-7-13-5-3-4-6-15(13)16(17)11-19/h3-8,14H,9-12H2,1-2H3.
What are the key properties of 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane?
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane has a molecular weight of 304.82 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116522378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).