(1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol

C11H18O2 — CID 143183201

IUPAC(1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol
SMILESCCOC(/C=C/O)=C/C=C(\C)CC
InChIInChI=1S/C11H18O2/c1-4-10(3)6-7-11(8-9-12)13-5-2/h6-9,12H,4-5H2,1-3H3/b9-8+,10-6+,11-7+
InChIKeyUTCDHJKFNWDLFF-YSTBUFFTSA-N
MW182.26 g/mol
LogP3.33
Rot. Bonds5

About (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol

(1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol (PubChem CID 143183201) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol
PubChem CID143183201
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol
SMILESCCOC(/C=C/O)=C/C=C(\C)CC
InChIInChI=1S/C11H18O2/c1-4-10(3)6-7-11(8-9-12)13-5-2/h6-9,12H,4-5H2,1-3H3/b9-8+,10-6+,11-7+
InChIKeyUTCDHJKFNWDLFF-YSTBUFFTSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol 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

2,5-dimethylhepta-2,4-diene
CID 54097255
(2E,5E)-2-ethoxy-6-methylocta-2,5-diene
CID 137395501
5-methyl-2-methylsulfanylhepta-2,4-diene
CID 123877694
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
(2E,4Z)-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene
CID 154026455
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
(2E,4E)-2-ethenyl-5-methylhepta-2,4-dien-1-amine
CID 166720058
carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate
CID 158426875
(2Z,5E,7Z)-5,8-dimethyl-4-methylidenedeca-2,5,7-triene
CID 143769871
(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol
CID 19107719
7-methylnona-4,6-dien-3-one
CID 90846612
ethyl (Z)-5-methylhept-4-enoate
CID 11116490

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol?
The IUPAC name of (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol (CID 143183201) is (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol is CCOC(/C=C/O)=C/C=C(\C)CC.
What is the InChIKey of (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol?
The InChIKey is UTCDHJKFNWDLFF-YSTBUFFTSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-10(3)6-7-11(8-9-12)13-5-2/h6-9,12H,4-5H2,1-3H3/b9-8+,10-6+,11-7+.
What are the key properties of (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol?
(1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol has a molecular weight of 182.26 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-3-ethoxy-6-methylocta-1,3,5-trien-1-ol is sourced from PubChem (CID 143183201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).