2-(2,2-dimethylpropyl)oxolane-3-carbonitrile

C10H17NO — CID 79367556

IUPAC2-(2,2-dimethylpropyl)oxolane-3-carbonitrile
SMILESCC(C)(C)CC1OCCC1C#N
InChIInChI=1S/C10H17NO/c1-10(2,3)6-9-8(7-11)4-5-12-9/h8-9H,4-6H2,1-3H3
InChIKeyXHBCPPJPYKFMKX-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds1

About 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile

2-(2,2-dimethylpropyl)oxolane-3-carbonitrile (PubChem CID 79367556) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)oxolane-3-carbonitrile
PubChem CID79367556
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(2,2-dimethylpropyl)oxolane-3-carbonitrile
SMILESCC(C)(C)CC1OCCC1C#N
InChIInChI=1S/C10H17NO/c1-10(2,3)6-9-8(7-11)4-5-12-9/h8-9H,4-6H2,1-3H3
InChIKeyXHBCPPJPYKFMKX-UHFFFAOYSA-N
XLogP2.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile (CID 79367556) is 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile is CC(C)(C)CC1OCCC1C#N.
What is the InChIKey of 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile?
The InChIKey is XHBCPPJPYKFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)6-9-8(7-11)4-5-12-9/h8-9H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile?
2-(2,2-dimethylpropyl)oxolane-3-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)oxolane-3-carbonitrile is sourced from PubChem (CID 79367556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).