2-(4,8-dimethylnon-7-enoxy)oxan-4-ol

C16H30O3 — CID 144591250

IUPAC2-(4,8-dimethylnon-7-enoxy)oxan-4-ol
SMILESCC(C)=CCCC(C)CCCOC1CC(O)CCO1
InChIInChI=1S/C16H30O3/c1-13(2)6-4-7-14(3)8-5-10-18-16-12-15(17)9-11-19-16/h6,14-17H,4-5,7-12H2,1-3H3
InChIKeyQXHBGHXGRXXUOQ-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.66
Rot. Bonds8

About 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol

2-(4,8-dimethylnon-7-enoxy)oxan-4-ol (PubChem CID 144591250) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol.

Molecular Properties

Compound Name2-(4,8-dimethylnon-7-enoxy)oxan-4-ol
PubChem CID144591250
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-(4,8-dimethylnon-7-enoxy)oxan-4-ol
SMILESCC(C)=CCCC(C)CCCOC1CC(O)CCO1
InChIInChI=1S/C16H30O3/c1-13(2)6-4-7-14(3)8-5-10-18-16-12-15(17)9-11-19-16/h6,14-17H,4-5,7-12H2,1-3H3
InChIKeyQXHBGHXGRXXUOQ-UHFFFAOYSA-N
XLogP3.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol?
The IUPAC name of 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol (CID 144591250) is 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol.
What is the SMILES notation for 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol?
The canonical SMILES for 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol is CC(C)=CCCC(C)CCCOC1CC(O)CCO1.
What is the InChIKey of 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol?
The InChIKey is QXHBGHXGRXXUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-13(2)6-4-7-14(3)8-5-10-18-16-12-15(17)9-11-19-16/h6,14-17H,4-5,7-12H2,1-3H3.
What are the key properties of 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol?
2-(4,8-dimethylnon-7-enoxy)oxan-4-ol has a molecular weight of 270.41 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnon-7-enoxy)oxan-4-ol is sourced from PubChem (CID 144591250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).