(2Z)-2-ethylideneundecanal

C13H24O — CID 6437629

IUPAC(2Z)-2-ethylideneundecanal
SMILESC/C=C(\C=O)CCCCCCCCC
InChIInChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h4,12H,3,5-11H2,1-2H3/b13-4-
InChIKeyUDHFJAGCBKZYMB-PQMHYQBVSA-N
MW196.33 g/mol
LogP4.27
Rot. Bonds9

About (2Z)-2-ethylideneundecanal

(2Z)-2-ethylideneundecanal (PubChem CID 6437629) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2Z)-2-ethylideneundecanal.

Molecular Properties

Compound Name(2Z)-2-ethylideneundecanal
PubChem CID6437629
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2Z)-2-ethylideneundecanal
SMILESC/C=C(\C=O)CCCCCCCCC
InChIInChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h4,12H,3,5-11H2,1-2H3/b13-4-
InChIKeyUDHFJAGCBKZYMB-PQMHYQBVSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylideneundecanal?
The IUPAC name of (2Z)-2-ethylideneundecanal (CID 6437629) is (2Z)-2-ethylideneundecanal.
What is the SMILES notation for (2Z)-2-ethylideneundecanal?
The canonical SMILES for (2Z)-2-ethylideneundecanal is C/C=C(\C=O)CCCCCCCCC.
What is the InChIKey of (2Z)-2-ethylideneundecanal?
The InChIKey is UDHFJAGCBKZYMB-PQMHYQBVSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h4,12H,3,5-11H2,1-2H3/b13-4-.
What are the key properties of (2Z)-2-ethylideneundecanal?
(2Z)-2-ethylideneundecanal has a molecular weight of 196.33 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylideneundecanal is sourced from PubChem (CID 6437629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).