2-chlorooxane;deca-2,4-dienoic acid

C15H25ClO3 — CID 173218353

IUPAC2-chlorooxane;deca-2,4-dienoic acid
SMILESCCCCCC=CC=CC(=O)O.ClC1CCCCO1
InChIInChI=1S/C10H16O2.C5H9ClO/c1-2-3-4-5-6-7-8-9-10(11)12;6-5-3-1-2-4-7-5/h6-9H,2-5H2,1H3,(H,11,12);5H,1-4H2
InChIKeyYWDSCAAHUIHWHA-UHFFFAOYSA-N
MW288.81 g/mol
LogP4.52
Rot. Bonds6

About 2-chlorooxane;deca-2,4-dienoic acid

2-chlorooxane;deca-2,4-dienoic acid (PubChem CID 173218353) has the molecular formula C15H25ClO3 and a molecular weight of 288.81 g/mol. Its IUPAC name is 2-chlorooxane;deca-2,4-dienoic acid.

Molecular Properties

Compound Name2-chlorooxane;deca-2,4-dienoic acid
PubChem CID173218353
Molecular FormulaC15H25ClO3
Molecular Weight288.81 g/mol
Exact Mass288.15
IUPAC Name2-chlorooxane;deca-2,4-dienoic acid
SMILESCCCCCC=CC=CC(=O)O.ClC1CCCCO1
InChIInChI=1S/C10H16O2.C5H9ClO/c1-2-3-4-5-6-7-8-9-10(11)12;6-5-3-1-2-4-7-5/h6-9H,2-5H2,1H3,(H,11,12);5H,1-4H2
InChIKeyYWDSCAAHUIHWHA-UHFFFAOYSA-N
XLogP4.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chlorooxane;deca-2,4-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E,6E,8E,10E,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 122652013
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
azane;dodeca-2,4-dienoic acid
CID 174563549
(2E,4E,8E)-tetradeca-2,4,8-trienoic acid
CID 88513296
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758

Frequently Asked Questions

What is the IUPAC name of 2-chlorooxane;deca-2,4-dienoic acid?
The IUPAC name of 2-chlorooxane;deca-2,4-dienoic acid (CID 173218353) is 2-chlorooxane;deca-2,4-dienoic acid.
What is the SMILES notation for 2-chlorooxane;deca-2,4-dienoic acid?
The canonical SMILES for 2-chlorooxane;deca-2,4-dienoic acid is CCCCCC=CC=CC(=O)O.ClC1CCCCO1.
What is the InChIKey of 2-chlorooxane;deca-2,4-dienoic acid?
The InChIKey is YWDSCAAHUIHWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C5H9ClO/c1-2-3-4-5-6-7-8-9-10(11)12;6-5-3-1-2-4-7-5/h6-9H,2-5H2,1H3,(H,11,12);5H,1-4H2.
What are the key properties of 2-chlorooxane;deca-2,4-dienoic acid?
2-chlorooxane;deca-2,4-dienoic acid has a molecular weight of 288.81 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorooxane;deca-2,4-dienoic acid is sourced from PubChem (CID 173218353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).