2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile

C10H17NO — CID 20574261

IUPAC2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile
SMILESCC(C)C1CCC(C)(CC#N)O1
InChIInChI=1S/C10H17NO/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9H,4-6H2,1-3H3
InChIKeyAFWHMVTTYMQCQP-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.49
Rot. Bonds2

About 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile

2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile (PubChem CID 20574261) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile
PubChem CID20574261
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile
SMILESCC(C)C1CCC(C)(CC#N)O1
InChIInChI=1S/C10H17NO/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9H,4-6H2,1-3H3
InChIKeyAFWHMVTTYMQCQP-UHFFFAOYSA-N
XLogP2.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile?
The IUPAC name of 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile (CID 20574261) is 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile?
The canonical SMILES for 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile is CC(C)C1CCC(C)(CC#N)O1.
What is the InChIKey of 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile?
The InChIKey is AFWHMVTTYMQCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9H,4-6H2,1-3H3.
What are the key properties of 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile?
2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile is sourced from PubChem (CID 20574261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).