(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol

C20H38O3 — CID 175351472

IUPAC(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol
SMILESCC(C)=CCC/C(C)=C/CO.CC(C)CC1CC(C)(O)CCO1
InChIInChI=1S/C10H20O2.C10H18O/c1-8(2)6-9-7-10(3,11)4-5-12-9;1-9(2)5-4-6-10(3)7-8-11/h8-9,11H,4-7H2,1-3H3;5,7,11H,4,6,8H2,1-3H3/b;10-7+
InChIKeyLUDGDWVADJNBEY-FXRCEOBJSA-N
MW326.52 g/mol
LogP4.63
Rot. Bonds6

About (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol

(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol (PubChem CID 175351472) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol.

Molecular Properties

Compound Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol
PubChem CID175351472
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol
SMILESCC(C)=CCC/C(C)=C/CO.CC(C)CC1CC(C)(O)CCO1
InChIInChI=1S/C10H20O2.C10H18O/c1-8(2)6-9-7-10(3,11)4-5-12-9;1-9(2)5-4-6-10(3)7-8-11/h8-9,11H,4-7H2,1-3H3;5,7,11H,4,6,8H2,1-3H3/b;10-7+
InChIKeyLUDGDWVADJNBEY-FXRCEOBJSA-N
XLogP4.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol?
The IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol (CID 175351472) is (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol.
What is the SMILES notation for (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol?
The canonical SMILES for (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol is CC(C)=CCC/C(C)=C/CO.CC(C)CC1CC(C)(O)CCO1.
What is the InChIKey of (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol?
The InChIKey is LUDGDWVADJNBEY-FXRCEOBJSA-N. The full InChI is InChI=1S/C10H20O2.C10H18O/c1-8(2)6-9-7-10(3,11)4-5-12-9;1-9(2)5-4-6-10(3)7-8-11/h8-9,11H,4-7H2,1-3H3;5,7,11H,4,6,8H2,1-3H3/b;10-7+.
What are the key properties of (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol?
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol has a molecular weight of 326.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methyl-2-(2-methylpropyl)oxan-4-ol is sourced from PubChem (CID 175351472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).