(2E)-2-ethylidene-3-hydroxydecanenitrile

C12H21NO — CID 139260477

IUPAC(2E)-2-ethylidene-3-hydroxydecanenitrile
SMILESC/C=C(\C#N)C(O)CCCCCCC
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-9-12(14)11(4-2)10-13/h4,12,14H,3,5-9H2,1-2H3/b11-4+
InChIKeyUOGCDUKJJZCCQP-NYYWCZLTSA-N
MW195.31 g/mol
LogP3.18
Rot. Bonds7

About (2E)-2-ethylidene-3-hydroxydecanenitrile

(2E)-2-ethylidene-3-hydroxydecanenitrile (PubChem CID 139260477) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2E)-2-ethylidene-3-hydroxydecanenitrile.

Molecular Properties

Compound Name(2E)-2-ethylidene-3-hydroxydecanenitrile
PubChem CID139260477
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2E)-2-ethylidene-3-hydroxydecanenitrile
SMILESC/C=C(\C#N)C(O)CCCCCCC
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-9-12(14)11(4-2)10-13/h4,12,14H,3,5-9H2,1-2H3/b11-4+
InChIKeyUOGCDUKJJZCCQP-NYYWCZLTSA-N
XLogP3.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3-hydroxydecanenitrile?
The IUPAC name of (2E)-2-ethylidene-3-hydroxydecanenitrile (CID 139260477) is (2E)-2-ethylidene-3-hydroxydecanenitrile.
What is the SMILES notation for (2E)-2-ethylidene-3-hydroxydecanenitrile?
The canonical SMILES for (2E)-2-ethylidene-3-hydroxydecanenitrile is C/C=C(\C#N)C(O)CCCCCCC.
What is the InChIKey of (2E)-2-ethylidene-3-hydroxydecanenitrile?
The InChIKey is UOGCDUKJJZCCQP-NYYWCZLTSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-7-8-9-12(14)11(4-2)10-13/h4,12,14H,3,5-9H2,1-2H3/b11-4+.
What are the key properties of (2E)-2-ethylidene-3-hydroxydecanenitrile?
(2E)-2-ethylidene-3-hydroxydecanenitrile has a molecular weight of 195.31 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3-hydroxydecanenitrile is sourced from PubChem (CID 139260477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).