2,2,5-trimethyl-3-non-8-enyloxolane

C16H30O — CID 86109080

IUPAC2,2,5-trimethyl-3-non-8-enyloxolane
SMILESC=CCCCCCCCC1CC(C)OC1(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-9-10-11-12-15-13-14(2)17-16(15,3)4/h5,14-15H,1,6-13H2,2-4H3
InChIKeyVMIBSCYQDFQEFQ-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.11
Rot. Bonds8

About 2,2,5-trimethyl-3-non-8-enyloxolane

2,2,5-trimethyl-3-non-8-enyloxolane (PubChem CID 86109080) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-non-8-enyloxolane.

Molecular Properties

Compound Name2,2,5-trimethyl-3-non-8-enyloxolane
PubChem CID86109080
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2,2,5-trimethyl-3-non-8-enyloxolane
SMILESC=CCCCCCCCC1CC(C)OC1(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-9-10-11-12-15-13-14(2)17-16(15,3)4/h5,14-15H,1,6-13H2,2-4H3
InChIKeyVMIBSCYQDFQEFQ-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,5-trimethyl-3-non-8-enyloxolane?
The IUPAC name of 2,2,5-trimethyl-3-non-8-enyloxolane (CID 86109080) is 2,2,5-trimethyl-3-non-8-enyloxolane.
What is the SMILES notation for 2,2,5-trimethyl-3-non-8-enyloxolane?
The canonical SMILES for 2,2,5-trimethyl-3-non-8-enyloxolane is C=CCCCCCCCC1CC(C)OC1(C)C.
What is the InChIKey of 2,2,5-trimethyl-3-non-8-enyloxolane?
The InChIKey is VMIBSCYQDFQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-5-6-7-8-9-10-11-12-15-13-14(2)17-16(15,3)4/h5,14-15H,1,6-13H2,2-4H3.
What are the key properties of 2,2,5-trimethyl-3-non-8-enyloxolane?
2,2,5-trimethyl-3-non-8-enyloxolane has a molecular weight of 238.41 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3-non-8-enyloxolane is sourced from PubChem (CID 86109080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).