8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol

C14H26O3 — CID 135086359

IUPAC8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol
SMILESC=C(CC(O)C=C(C)C)CC(OCC)OCC
InChIInChI=1S/C14H26O3/c1-6-16-14(17-7-2)10-12(5)9-13(15)8-11(3)4/h8,13-15H,5-7,9-10H2,1-4H3
InChIKeyKGOJMJASPYFQNC-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.05
Rot. Bonds9

About 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol

8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol (PubChem CID 135086359) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol.

Molecular Properties

Compound Name8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol
PubChem CID135086359
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol
SMILESC=C(CC(O)C=C(C)C)CC(OCC)OCC
InChIInChI=1S/C14H26O3/c1-6-16-14(17-7-2)10-12(5)9-13(15)8-11(3)4/h8,13-15H,5-7,9-10H2,1-4H3
InChIKeyKGOJMJASPYFQNC-UHFFFAOYSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol 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 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol?
The IUPAC name of 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol (CID 135086359) is 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol.
What is the SMILES notation for 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol?
The canonical SMILES for 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol is C=C(CC(O)C=C(C)C)CC(OCC)OCC.
What is the InChIKey of 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol?
The InChIKey is KGOJMJASPYFQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-16-14(17-7-2)10-12(5)9-13(15)8-11(3)4/h8,13-15H,5-7,9-10H2,1-4H3.
What are the key properties of 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol?
8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol has a molecular weight of 242.36 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diethoxy-2-methyl-6-methylideneoct-2-en-4-ol is sourced from PubChem (CID 135086359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).