3-ethoxy-2,2,7-trimethyloct-7-en-4-ol

C13H26O2 — CID 114474048

IUPAC3-ethoxy-2,2,7-trimethyloct-7-en-4-ol
SMILESC=C(C)CCC(O)C(OCC)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-15-12(13(4,5)6)11(14)9-8-10(2)3/h11-12,14H,2,7-9H2,1,3-6H3
InChIKeyGLUQILQZJIEIHJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.15
Rot. Bonds6

About 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol

3-ethoxy-2,2,7-trimethyloct-7-en-4-ol (PubChem CID 114474048) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol.

Molecular Properties

Compound Name3-ethoxy-2,2,7-trimethyloct-7-en-4-ol
PubChem CID114474048
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-ethoxy-2,2,7-trimethyloct-7-en-4-ol
SMILESC=C(C)CCC(O)C(OCC)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-15-12(13(4,5)6)11(14)9-8-10(2)3/h11-12,14H,2,7-9H2,1,3-6H3
InChIKeyGLUQILQZJIEIHJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethoxy-2,2,7-trimethyloct-7-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

Related Compounds

2,6-Dimethylhept-6-ene-2,3-diol
CID 71332386
(3R)-2,6-dimethylhept-6-ene-2,3-diol
CID 15936668
(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol
CID 16726133
2,2,8-Trimethylnon-8-en-3-ol
CID 18520963
(3S)-2,6-dimethylhept-6-ene-2,3-diol
CID 71352856
2,2,7-Trimethyloct-7-en-3-ol
CID 79185758
5-Methoxy-2,7-dimethyloct-7-en-4-ol
CID 90920170
1-(2,4,4,6-Tetramethylhept-6-enoxy)propan-2-ol
CID 139606102
1-(2,4,4,6-Tetramethylhept-6-enoxy)butan-2-ol
CID 139606107
1-(2,4,4,6-Tetramethylhept-6-enoxy)hexan-2-ol
CID 139606108
1-(2-Hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol
CID 139646552
[3-Ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol
CID 141029004

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol?
The IUPAC name of 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol (CID 114474048) is 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol.
What is the SMILES notation for 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol?
The canonical SMILES for 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol is C=C(C)CCC(O)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol?
The InChIKey is GLUQILQZJIEIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-15-12(13(4,5)6)11(14)9-8-10(2)3/h11-12,14H,2,7-9H2,1,3-6H3.
What are the key properties of 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol?
3-ethoxy-2,2,7-trimethyloct-7-en-4-ol has a molecular weight of 214.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2,7-trimethyloct-7-en-4-ol is sourced from PubChem (CID 114474048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).