2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane

C19H34O3 — CID 143224382

IUPAC2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane
SMILESC=C(OC(C)CCCC1CCC(C)OC1)C1CCOC(C)C1
InChIInChI=1S/C19H34O3/c1-14-8-9-18(13-21-14)7-5-6-15(2)22-17(4)19-10-11-20-16(3)12-19/h14-16,18-19H,4-13H2,1-3H3
InChIKeyAJKFWAYLKFFWQB-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.71
Rot. Bonds7

About 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane

2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane (PubChem CID 143224382) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane.

Molecular Properties

Compound Name2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane
PubChem CID143224382
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane
SMILESC=C(OC(C)CCCC1CCC(C)OC1)C1CCOC(C)C1
InChIInChI=1S/C19H34O3/c1-14-8-9-18(13-21-14)7-5-6-15(2)22-17(4)19-10-11-20-16(3)12-19/h14-16,18-19H,4-13H2,1-3H3
InChIKeyAJKFWAYLKFFWQB-UHFFFAOYSA-N
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(4-Ethenylcyclohexyl)-5-pentyloxane
CID 58620680
3-[(4S,5S)-4-methoxy-5-methyl-2-methylidenenonyl]oxane
CID 67671805
3-Ethyl-2-hexan-2-yloxynon-1-ene
CID 87707637
1-(Methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane
CID 89187002
(4S,6R)-2,4-dimethyl-6-[[(6R)-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]methyl]oxane
CID 89867440
(2R,4S)-4-methyl-2-[[(6R)-6-[(2R)-2-methylbut-3-enyl]oxan-2-yl]methyl]-6-propyloxane
CID 89867441
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran
CID 126703875
5-Methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane
CID 135227109
2-Methyl-4-[1-(2-methyloxan-4-yl)ethenoxymethyl]oxane
CID 142140596
2-Methyl-4-[8-[1-(4-methylcyclohexyl)ethenoxy]octyl]oxane
CID 143227401
2-Methyl-4-(non-1-en-2-yloxymethyl)oxane
CID 143295918
2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane
CID 143913242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane?
The IUPAC name of 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane (CID 143224382) is 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane.
What is the SMILES notation for 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane?
The canonical SMILES for 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane is C=C(OC(C)CCCC1CCC(C)OC1)C1CCOC(C)C1.
What is the InChIKey of 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane?
The InChIKey is AJKFWAYLKFFWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-14-8-9-18(13-21-14)7-5-6-15(2)22-17(4)19-10-11-20-16(3)12-19/h14-16,18-19H,4-13H2,1-3H3.
What are the key properties of 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane?
2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane has a molecular weight of 310.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[5-(6-methyloxan-3-yl)pentan-2-yloxy]ethenyl]oxane is sourced from PubChem (CID 143224382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).