2-methyl-5-methylidene-2-nonyloxolane

C15H28O — CID 123607914

IUPAC2-methyl-5-methylidene-2-nonyloxolane
SMILESC=C1CCC(C)(CCCCCCCCC)O1
InChIInChI=1S/C15H28O/c1-4-5-6-7-8-9-10-12-15(3)13-11-14(2)16-15/h2,4-13H2,1,3H3
InChIKeyTXOFYTAZBBGGMO-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.21
Rot. Bonds8

About 2-methyl-5-methylidene-2-nonyloxolane

2-methyl-5-methylidene-2-nonyloxolane (PubChem CID 123607914) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-5-methylidene-2-nonyloxolane.

Molecular Properties

Compound Name2-methyl-5-methylidene-2-nonyloxolane
PubChem CID123607914
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-methyl-5-methylidene-2-nonyloxolane
SMILESC=C1CCC(C)(CCCCCCCCC)O1
InChIInChI=1S/C15H28O/c1-4-5-6-7-8-9-10-12-15(3)13-11-14(2)16-15/h2,4-13H2,1,3H3
InChIKeyTXOFYTAZBBGGMO-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-2-nonyloxolane?
The IUPAC name of 2-methyl-5-methylidene-2-nonyloxolane (CID 123607914) is 2-methyl-5-methylidene-2-nonyloxolane.
What is the SMILES notation for 2-methyl-5-methylidene-2-nonyloxolane?
The canonical SMILES for 2-methyl-5-methylidene-2-nonyloxolane is C=C1CCC(C)(CCCCCCCCC)O1.
What is the InChIKey of 2-methyl-5-methylidene-2-nonyloxolane?
The InChIKey is TXOFYTAZBBGGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-5-6-7-8-9-10-12-15(3)13-11-14(2)16-15/h2,4-13H2,1,3H3.
What are the key properties of 2-methyl-5-methylidene-2-nonyloxolane?
2-methyl-5-methylidene-2-nonyloxolane has a molecular weight of 224.39 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-2-nonyloxolane is sourced from PubChem (CID 123607914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).