(3E)-11,11-dimethoxy-2-methylundeca-1,3-diene

C14H26O2 — CID 12008825

IUPAC(3E)-11,11-dimethoxy-2-methylundeca-1,3-diene
SMILESC=C(C)/C=C/CCCCCCC(OC)OC
InChIInChI=1S/C14H26O2/c1-13(2)11-9-7-5-6-8-10-12-14(15-3)16-4/h9,11,14H,1,5-8,10,12H2,2-4H3/b11-9+
InChIKeyBZJUHSKQNAAUHG-PKNBQFBNSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds10

About (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene

(3E)-11,11-dimethoxy-2-methylundeca-1,3-diene (PubChem CID 12008825) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene.

Molecular Properties

Compound Name(3E)-11,11-dimethoxy-2-methylundeca-1,3-diene
PubChem CID12008825
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(3E)-11,11-dimethoxy-2-methylundeca-1,3-diene
SMILESC=C(C)/C=C/CCCCCCC(OC)OC
InChIInChI=1S/C14H26O2/c1-13(2)11-9-7-5-6-8-10-12-14(15-3)16-4/h9,11,14H,1,5-8,10,12H2,2-4H3/b11-9+
InChIKeyBZJUHSKQNAAUHG-PKNBQFBNSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene 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

(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
12,12-dimethoxydodeca-3,5-diene
CID 168861657
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
15,15-dimethoxypentadeca-3,5-diene
CID 168861653
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(E)-1-iodo-15,15-dimethoxypentadec-3-ene
CID 163205538
(Z)-1-bromo-18,18-dimethoxyoctadec-3-ene
CID 163205986
(E)-1-bromo-16,16-dimethoxyhexadec-3-ene
CID 163205542
(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549

Frequently Asked Questions

What is the IUPAC name of (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene?
The IUPAC name of (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene (CID 12008825) is (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene.
What is the SMILES notation for (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene?
The canonical SMILES for (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene is C=C(C)/C=C/CCCCCCC(OC)OC.
What is the InChIKey of (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene?
The InChIKey is BZJUHSKQNAAUHG-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2)11-9-7-5-6-8-10-12-14(15-3)16-4/h9,11,14H,1,5-8,10,12H2,2-4H3/b11-9+.
What are the key properties of (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene?
(3E)-11,11-dimethoxy-2-methylundeca-1,3-diene has a molecular weight of 226.36 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-11,11-dimethoxy-2-methylundeca-1,3-diene is sourced from PubChem (CID 12008825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).