2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile

C9H15NO2 — CID 130585649

IUPAC2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile
SMILESCOCC1(C)CCC(CC#N)O1
InChIInChI=1S/C9H15NO2/c1-9(7-11-2)5-3-8(12-9)4-6-10/h8H,3-5,7H2,1-2H3
InChIKeyKZGKETPCZKMBPY-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.48
Rot. Bonds3

About 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile

2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile (PubChem CID 130585649) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile
PubChem CID130585649
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile
SMILESCOCC1(C)CCC(CC#N)O1
InChIInChI=1S/C9H15NO2/c1-9(7-11-2)5-3-8(12-9)4-6-10/h8H,3-5,7H2,1-2H3
InChIKeyKZGKETPCZKMBPY-UHFFFAOYSA-N
XLogP1.48
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,6-dimethyloxan-2-yl)acetonitrile
CID 130585691
2-(9-ethyl-1-oxaspiro[4.4]nonan-2-yl)acetonitrile
CID 130585622
2-[(2S,5R)-5-(cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
CID 131858747
2-(6-iodo-1,10-dioxaspiro[4.5]decan-2-yl)acetonitrile
CID 14487880
2-[(4R,7aS)-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]acetonitrile
CID 58253138
2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile
CID 20574261
2-[2-(3-hydroxypropyl)-2-methyl-1,3-dioxolan-4-yl]acetonitrile
CID 117168302
[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
CID 131048430
2-(1,4-dioxaspiro[4.4]nonan-3-yl)acetonitrile
CID 55270226
2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]acetonitrile
CID 10867228
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
CID 130582685
2-ethyl-6-methoxy-2,5-dimethyloxane
CID 5136867

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile?
The IUPAC name of 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile (CID 130585649) is 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile is COCC1(C)CCC(CC#N)O1.
What is the InChIKey of 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile?
The InChIKey is KZGKETPCZKMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(7-11-2)5-3-8(12-9)4-6-10/h8H,3-5,7H2,1-2H3.
What are the key properties of 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile?
2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile has a molecular weight of 169.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile is sourced from PubChem (CID 130585649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).