(2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal

C18H24O3 — CID 22145500

IUPAC(2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal
SMILESC/C(=C/C=C/C=C/C=C/C=C/C=O)C1OCC(C)(C)CO1
InChIInChI=1S/C18H24O3/c1-16(17-20-14-18(2,3)15-21-17)12-10-8-6-4-5-7-9-11-13-19/h4-13,17H,14-15H2,1-3H3/b6-4+,7-5+,10-8+,11-9+,16-12-
InChIKeyUUVRSXPCBPYQLF-RVXPQKMKSA-N
MW288.39 g/mol
LogP3.76
Rot. Bonds6

About (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal

(2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal (PubChem CID 22145500) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal
PubChem CID22145500
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal
SMILESC/C(=C/C=C/C=C/C=C/C=C/C=O)C1OCC(C)(C)CO1
InChIInChI=1S/C18H24O3/c1-16(17-20-14-18(2,3)15-21-17)12-10-8-6-4-5-7-9-11-13-19/h4-13,17H,14-15H2,1-3H3/b6-4+,7-5+,10-8+,11-9+,16-12-
InChIKeyUUVRSXPCBPYQLF-RVXPQKMKSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal?
The IUPAC name of (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal (CID 22145500) is (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal.
What is the SMILES notation for (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal?
The canonical SMILES for (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal is C/C(=C/C=C/C=C/C=C/C=C/C=O)C1OCC(C)(C)CO1.
What is the InChIKey of (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal?
The InChIKey is UUVRSXPCBPYQLF-RVXPQKMKSA-N. The full InChI is InChI=1S/C18H24O3/c1-16(17-20-14-18(2,3)15-21-17)12-10-8-6-4-5-7-9-11-13-19/h4-13,17H,14-15H2,1-3H3/b6-4+,7-5+,10-8+,11-9+,16-12-.
What are the key properties of (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal?
(2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal has a molecular weight of 288.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal is sourced from PubChem (CID 22145500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).