2-methyl-4-(non-1-en-2-yloxymethyl)oxane

C16H30O2 — CID 143295918

IUPAC2-methyl-4-(non-1-en-2-yloxymethyl)oxane
SMILESC=C(CCCCCCC)OCC1CCOC(C)C1
InChIInChI=1S/C16H30O2/c1-4-5-6-7-8-9-14(2)18-13-16-10-11-17-15(3)12-16/h15-16H,2,4-13H2,1,3H3
InChIKeyLXKHAEKFFHDVEC-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.69
Rot. Bonds9

About 2-methyl-4-(non-1-en-2-yloxymethyl)oxane

2-methyl-4-(non-1-en-2-yloxymethyl)oxane (PubChem CID 143295918) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-methyl-4-(non-1-en-2-yloxymethyl)oxane.

Molecular Properties

Compound Name2-methyl-4-(non-1-en-2-yloxymethyl)oxane
PubChem CID143295918
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-methyl-4-(non-1-en-2-yloxymethyl)oxane
SMILESC=C(CCCCCCC)OCC1CCOC(C)C1
InChIInChI=1S/C16H30O2/c1-4-5-6-7-8-9-14(2)18-13-16-10-11-17-15(3)12-16/h15-16H,2,4-13H2,1,3H3
InChIKeyLXKHAEKFFHDVEC-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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Thromboxene
CID 57129285
5-(4-Fluoropentyl)-2-methylideneoxane
CID 126704984
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
(2R,3S)-3-ethenyl-2-propyloxane
CID 134995819
(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane
CID 102095302
2-isobutyl-6-methyl-3-(prop-1-en-2-yl)tetrahydro-2H-pyran
CID 3839230
1-Octadecoxyethenylcyclohexane
CID 17888800
3,4,6-Trimethyl-2-methylideneoxane
CID 20614547
2-Ethyl-3,4,5-trimethyl-6-methylideneoxane
CID 21362336
4-Methylidene-2-pentan-3-yloxane
CID 44464833
2-Prop-2-enyl-4-propyloxane
CID 54547299
(2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane
CID 59003864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(non-1-en-2-yloxymethyl)oxane?
The IUPAC name of 2-methyl-4-(non-1-en-2-yloxymethyl)oxane (CID 143295918) is 2-methyl-4-(non-1-en-2-yloxymethyl)oxane.
What is the SMILES notation for 2-methyl-4-(non-1-en-2-yloxymethyl)oxane?
The canonical SMILES for 2-methyl-4-(non-1-en-2-yloxymethyl)oxane is C=C(CCCCCCC)OCC1CCOC(C)C1.
What is the InChIKey of 2-methyl-4-(non-1-en-2-yloxymethyl)oxane?
The InChIKey is LXKHAEKFFHDVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-5-6-7-8-9-14(2)18-13-16-10-11-17-15(3)12-16/h15-16H,2,4-13H2,1,3H3.
What are the key properties of 2-methyl-4-(non-1-en-2-yloxymethyl)oxane?
2-methyl-4-(non-1-en-2-yloxymethyl)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-methyl-4-(non-1-en-2-yloxymethyl)oxane is sourced from PubChem (CID 143295918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).