ethane;propane;2-propan-2-yloxybenzonitrile

C15H25NO — CID 145341858

IUPACethane;propane;2-propan-2-yloxybenzonitrile
SMILESCC.CC(C)Oc1ccccc1C#N.CCC
InChIInChI=1S/C10H11NO.C3H8.C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11;1-3-2;1-2/h3-6,8H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyDXJGKGIOOMGBQK-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.79
Rot. Bonds2

About ethane;propane;2-propan-2-yloxybenzonitrile

ethane;propane;2-propan-2-yloxybenzonitrile (PubChem CID 145341858) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;propane;2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Nameethane;propane;2-propan-2-yloxybenzonitrile
PubChem CID145341858
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;propane;2-propan-2-yloxybenzonitrile
SMILESCC.CC(C)Oc1ccccc1C#N.CCC
InChIInChI=1S/C10H11NO.C3H8.C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11;1-3-2;1-2/h3-6,8H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyDXJGKGIOOMGBQK-UHFFFAOYSA-N
XLogP4.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-bromobutoxy)benzonitrile
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propane;2-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxybenzonitrile
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methyl 3-(2-cyanophenoxy)butanoate
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2-phenylmethoxybenzonitrile;propane
CID 142369146
2-(2-methylpentoxy)benzonitrile
CID 62265352
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205
2-[1-[(2S)-oxiran-2-yl]ethoxy]benzonitrile
CID 86640575
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[1-(1-methylimidazol-2-yl)ethoxy]benzonitrile
CID 117052836

Frequently Asked Questions

What is the IUPAC name of ethane;propane;2-propan-2-yloxybenzonitrile?
The IUPAC name of ethane;propane;2-propan-2-yloxybenzonitrile (CID 145341858) is ethane;propane;2-propan-2-yloxybenzonitrile.
What is the SMILES notation for ethane;propane;2-propan-2-yloxybenzonitrile?
The canonical SMILES for ethane;propane;2-propan-2-yloxybenzonitrile is CC.CC(C)Oc1ccccc1C#N.CCC.
What is the InChIKey of ethane;propane;2-propan-2-yloxybenzonitrile?
The InChIKey is DXJGKGIOOMGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C3H8.C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11;1-3-2;1-2/h3-6,8H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;2-propan-2-yloxybenzonitrile?
ethane;propane;2-propan-2-yloxybenzonitrile has a molecular weight of 235.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 145341858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).