(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile

C10H15NO — CID 10975836

IUPAC(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
SMILESC/C=C(C#N)/C(=C\C(C)O)CC
InChIInChI=1S/C10H15NO/c1-4-9(6-8(3)12)10(5-2)7-11/h5-6,8,12H,4H2,1-3H3/b9-6-,10-5+
InChIKeyGYQVMVFCHAKFFS-SCWCTGRGSA-N
MW165.24 g/mol
LogP2.17
Rot. Bonds3

About (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile

(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile (PubChem CID 10975836) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile.

Molecular Properties

Compound Name(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
PubChem CID10975836
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
SMILESC/C=C(C#N)/C(=C\C(C)O)CC
InChIInChI=1S/C10H15NO/c1-4-9(6-8(3)12)10(5-2)7-11/h5-6,8,12H,4H2,1-3H3/b9-6-,10-5+
InChIKeyGYQVMVFCHAKFFS-SCWCTGRGSA-N
XLogP2.17
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile?
The IUPAC name of (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile (CID 10975836) is (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile.
What is the SMILES notation for (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile?
The canonical SMILES for (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile is C/C=C(C#N)/C(=C\C(C)O)CC.
What is the InChIKey of (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile?
The InChIKey is GYQVMVFCHAKFFS-SCWCTGRGSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-9(6-8(3)12)10(5-2)7-11/h5-6,8,12H,4H2,1-3H3/b9-6-,10-5+.
What are the key properties of (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile?
(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile has a molecular weight of 165.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile is sourced from PubChem (CID 10975836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).