2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane

C14H20O2 — CID 70569993

IUPAC2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane
SMILESCc1ccccc1COCC1(C)CCCO1
InChIInChI=1S/C14H20O2/c1-12-6-3-4-7-13(12)10-15-11-14(2)8-5-9-16-14/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeySJJPSZFPIWHLSU-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane

2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane (PubChem CID 70569993) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane
PubChem CID70569993
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane
SMILESCc1ccccc1COCC1(C)CCCO1
InChIInChI=1S/C14H20O2/c1-12-6-3-4-7-13(12)10-15-11-14(2)8-5-9-16-14/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeySJJPSZFPIWHLSU-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(2-methyloxolan-2-yl)methoxymethyl]oxolane
CID 66639597
2-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
7,7,9,9-tetramethyl-8-[(2-methylphenyl)methoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19768380
[(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 125170177
2-[(2-methyloxolan-2-yl)methyl]benzamide
CID 162688650
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
ethane;1-methyl-2-(propoxymethyl)benzene
CID 144908346
5-[(2-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075064
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole
CID 89491876
(2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
CID 102007921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane?
The IUPAC name of 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane (CID 70569993) is 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane.
What is the SMILES notation for 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane?
The canonical SMILES for 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane is Cc1ccccc1COCC1(C)CCCO1.
What is the InChIKey of 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane?
The InChIKey is SJJPSZFPIWHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12-6-3-4-7-13(12)10-15-11-14(2)8-5-9-16-14/h3-4,6-7H,5,8-11H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane?
2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane has a molecular weight of 220.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane is sourced from PubChem (CID 70569993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).