2-(4,8-dimethylnon-8-enoxy)oxane

C16H30O2 — CID 58892852

IUPAC2-(4,8-dimethylnon-8-enoxy)oxane
SMILESC=C(C)CCCC(C)CCCOC1CCCCO1
InChIInChI=1S/C16H30O2/c1-14(2)8-6-9-15(3)10-7-13-18-16-11-4-5-12-17-16/h15-16H,1,4-13H2,2-3H3
InChIKeyALUIAVYFENFPFP-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.69
Rot. Bonds9

About 2-(4,8-dimethylnon-8-enoxy)oxane

2-(4,8-dimethylnon-8-enoxy)oxane (PubChem CID 58892852) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-(4,8-dimethylnon-8-enoxy)oxane.

Molecular Properties

Compound Name2-(4,8-dimethylnon-8-enoxy)oxane
PubChem CID58892852
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-(4,8-dimethylnon-8-enoxy)oxane
SMILESC=C(C)CCCC(C)CCCOC1CCCCO1
InChIInChI=1S/C16H30O2/c1-14(2)8-6-9-15(3)10-7-13-18-16-11-4-5-12-17-16/h15-16H,1,4-13H2,2-3H3
InChIKeyALUIAVYFENFPFP-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Isopropenyl-5-methylcyclopentylmethoxy)tetrahydropyran
CID 559128
2-[(4R)-4-methylundec-10-enoxy]oxane
CID 56653144
Citronellaldimethylacetal
CID 14028841
6-Isobutyl-4-methylene-2-ethoxytetrahydro-2h-pyran
CID 129746167
2,6-Dimethyl-9,9-dimethoxynon-1-ene
CID 129749176
2-[(5R)-5-ethenylnonyl]-1,3-dioxane
CID 132602699
2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane
CID 134897740
2-(7-Methylnon-8-enoxy)oxane
CID 134966880
2-[(10R)-10-methylheptadec-16-enoxy]oxane
CID 135072499
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane
CID 139263558
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane
CID 139263560
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane
CID 139263561

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnon-8-enoxy)oxane?
The IUPAC name of 2-(4,8-dimethylnon-8-enoxy)oxane (CID 58892852) is 2-(4,8-dimethylnon-8-enoxy)oxane.
What is the SMILES notation for 2-(4,8-dimethylnon-8-enoxy)oxane?
The canonical SMILES for 2-(4,8-dimethylnon-8-enoxy)oxane is C=C(C)CCCC(C)CCCOC1CCCCO1.
What is the InChIKey of 2-(4,8-dimethylnon-8-enoxy)oxane?
The InChIKey is ALUIAVYFENFPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-14(2)8-6-9-15(3)10-7-13-18-16-11-4-5-12-17-16/h15-16H,1,4-13H2,2-3H3.
What are the key properties of 2-(4,8-dimethylnon-8-enoxy)oxane?
2-(4,8-dimethylnon-8-enoxy)oxane has a molecular weight of 254.41 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnon-8-enoxy)oxane is sourced from PubChem (CID 58892852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).