(E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol

C16H32O3 — CID 170562371

IUPAC(E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol
SMILESCCOCC(C)CC(C)(O)/C=C/C(C)(O)CC(C)C
InChIInChI=1S/C16H32O3/c1-7-19-12-14(4)11-16(6,18)9-8-15(5,17)10-13(2)3/h8-9,13-14,17-18H,7,10-12H2,1-6H3/b9-8+
InChIKeyDBEZSXSMLITYKR-CMDGGOBGSA-N
MW272.43 g/mol
LogP3.15
Rot. Bonds9

About (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol

(E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol (PubChem CID 170562371) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol.

Molecular Properties

Compound Name(E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol
PubChem CID170562371
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name(E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol
SMILESCCOCC(C)CC(C)(O)/C=C/C(C)(O)CC(C)C
InChIInChI=1S/C16H32O3/c1-7-19-12-14(4)11-16(6,18)9-8-15(5,17)10-13(2)3/h8-9,13-14,17-18H,7,10-12H2,1-6H3/b9-8+
InChIKeyDBEZSXSMLITYKR-CMDGGOBGSA-N
XLogP3.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-methylpropan-1-amine
CID 43175050
ethoxyethane;2-methylpentane-2,4-diol
CID 19391902
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254
2-(2-hydroxypropan-2-ylperoxy)-4-methylpentan-2-ol;propane
CID 143646942
1,4-diethoxy-2-methylbutane
CID 59899860
1-[tert-butyl(dimethyl)silyl]-N-(1-ethoxypropan-2-yl)ethanimine
CID 10911739
1-ethoxy-2-methylpent-4-en-2-ol
CID 71384768
1-ethoxy-N,3,3-trimethylpentan-2-amine
CID 105007892
5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid
CID 103973962
5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol
CID 138482304
(1-ethoxy-3,3,5,5-tetramethylhexan-2-yl) prop-2-eneperoxoate
CID 173346939
(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane
CID 173485738

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol?
The IUPAC name of (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol (CID 170562371) is (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol.
What is the SMILES notation for (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol?
The canonical SMILES for (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol is CCOCC(C)CC(C)(O)/C=C/C(C)(O)CC(C)C.
What is the InChIKey of (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol?
The InChIKey is DBEZSXSMLITYKR-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H32O3/c1-7-19-12-14(4)11-16(6,18)9-8-15(5,17)10-13(2)3/h8-9,13-14,17-18H,7,10-12H2,1-6H3/b9-8+.
What are the key properties of (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol?
(E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol has a molecular weight of 272.43 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol is sourced from PubChem (CID 170562371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).