(Z)-2-ethyl-4-hydroxyhex-2-enenitrile

C8H13NO — CID 12848402

IUPAC(Z)-2-ethyl-4-hydroxyhex-2-enenitrile
SMILESCC/C(C#N)=C/C(O)CC
InChIInChI=1S/C8H13NO/c1-3-7(6-9)5-8(10)4-2/h5,8,10H,3-4H2,1-2H3/b7-5-
InChIKeyNZAPZTYISKCSGV-ALCCZGGFSA-N
MW139.20 g/mol
LogP1.62
Rot. Bonds3

About (Z)-2-ethyl-4-hydroxyhex-2-enenitrile

(Z)-2-ethyl-4-hydroxyhex-2-enenitrile (PubChem CID 12848402) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-2-ethyl-4-hydroxyhex-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-ethyl-4-hydroxyhex-2-enenitrile
PubChem CID12848402
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z)-2-ethyl-4-hydroxyhex-2-enenitrile
SMILESCC/C(C#N)=C/C(O)CC
InChIInChI=1S/C8H13NO/c1-3-7(6-9)5-8(10)4-2/h5,8,10H,3-4H2,1-2H3/b7-5-
InChIKeyNZAPZTYISKCSGV-ALCCZGGFSA-N
XLogP1.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3-hydroxy-5,9-dimethyl-2-methylidenedeca-4,8-dienenitrile
CID 15520855
5-Hydroxycyclopent-1-ene-1-carbonitrile
CID 11643926
(2R,3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 11964173
2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
CID 12140501
2-Hydroxy-4-methylpent-3-enenitrile
CID 14932200
Isopropylidenmalonitril
CID 129707380
(Z)-3-ethyl-4-hydroxyhept-2-enenitrile
CID 134890167
(E)-2-hydroxy-3-methylhex-3-enenitrile
CID 135038964
(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile
CID 135046800
(E,2R)-2-hydroxy-3-methylhex-3-enenitrile
CID 135081124
(E)-3-hydroxy-2-methylidenehex-4-enenitrile
CID 10080399
(E,4S)-4-hydroxy-3-methylpent-2-enenitrile
CID 10558583

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-4-hydroxyhex-2-enenitrile?
The IUPAC name of (Z)-2-ethyl-4-hydroxyhex-2-enenitrile (CID 12848402) is (Z)-2-ethyl-4-hydroxyhex-2-enenitrile.
What is the SMILES notation for (Z)-2-ethyl-4-hydroxyhex-2-enenitrile?
The canonical SMILES for (Z)-2-ethyl-4-hydroxyhex-2-enenitrile is CC/C(C#N)=C/C(O)CC.
What is the InChIKey of (Z)-2-ethyl-4-hydroxyhex-2-enenitrile?
The InChIKey is NZAPZTYISKCSGV-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7(6-9)5-8(10)4-2/h5,8,10H,3-4H2,1-2H3/b7-5-.
What are the key properties of (Z)-2-ethyl-4-hydroxyhex-2-enenitrile?
(Z)-2-ethyl-4-hydroxyhex-2-enenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-4-hydroxyhex-2-enenitrile is sourced from PubChem (CID 12848402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).