(E)-6-(oxan-4-yl)hex-5-enenitrile

C11H17NO — CID 146167064

IUPAC(E)-6-(oxan-4-yl)hex-5-enenitrile
SMILESN#CCCC/C=C/C1CCOCC1
InChIInChI=1S/C11H17NO/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h3,5,11H,1-2,4,6-7,9-10H2/b5-3+
InChIKeySILSIEFGJBWPAE-HWKANZROSA-N
MW179.26 g/mol
LogP2.66
Rot. Bonds4

About (E)-6-(oxan-4-yl)hex-5-enenitrile

(E)-6-(oxan-4-yl)hex-5-enenitrile (PubChem CID 146167064) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (E)-6-(oxan-4-yl)hex-5-enenitrile.

Molecular Properties

Compound Name(E)-6-(oxan-4-yl)hex-5-enenitrile
PubChem CID146167064
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(E)-6-(oxan-4-yl)hex-5-enenitrile
SMILESN#CCCC/C=C/C1CCOCC1
InChIInChI=1S/C11H17NO/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h3,5,11H,1-2,4,6-7,9-10H2/b5-3+
InChIKeySILSIEFGJBWPAE-HWKANZROSA-N
XLogP2.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-(oxan-4-yl)hex-5-enenitrile?
The IUPAC name of (E)-6-(oxan-4-yl)hex-5-enenitrile (CID 146167064) is (E)-6-(oxan-4-yl)hex-5-enenitrile.
What is the SMILES notation for (E)-6-(oxan-4-yl)hex-5-enenitrile?
The canonical SMILES for (E)-6-(oxan-4-yl)hex-5-enenitrile is N#CCCC/C=C/C1CCOCC1.
What is the InChIKey of (E)-6-(oxan-4-yl)hex-5-enenitrile?
The InChIKey is SILSIEFGJBWPAE-HWKANZROSA-N. The full InChI is InChI=1S/C11H17NO/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h3,5,11H,1-2,4,6-7,9-10H2/b5-3+.
What are the key properties of (E)-6-(oxan-4-yl)hex-5-enenitrile?
(E)-6-(oxan-4-yl)hex-5-enenitrile has a molecular weight of 179.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(oxan-4-yl)hex-5-enenitrile is sourced from PubChem (CID 146167064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).