3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane

C15H26O2 — CID 58958835

IUPAC3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane
SMILESCC(C)=CCC/C(C)=C/COCC1(C)COC1
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-9-16-10-15(4)11-17-12-15/h6,8H,5,7,9-12H2,1-4H3/b14-8+
InChIKeyXSJKZYPVZVWAAC-RIYZIHGNSA-N
MW238.37 g/mol
LogP3.73
Rot. Bonds7

About 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane

3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane (PubChem CID 58958835) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane
PubChem CID58958835
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane
SMILESCC(C)=CCC/C(C)=C/COCC1(C)COC1
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-9-16-10-15(4)11-17-12-15/h6,8H,5,7,9-12H2,1-4H3/b14-8+
InChIKeyXSJKZYPVZVWAAC-RIYZIHGNSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.73
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

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 75724
(3E,7E,11E)-3,7,11-trimethyl-1-oxacyclotrideca-3,7,11-triene
CID 13966975
(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene
CID 163184442
1-Allyloxy-3,7-dimethyl-octa-2,6-diene
CID 534973
Geraniol butyl ether
CID 14083497
3-(4,8,13,17,21-Pentamethyldocosa-4,8,12,16,20-pentaenylidene)oxetane
CID 54208424

Frequently Asked Questions

What is the IUPAC name of 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane?
The IUPAC name of 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane (CID 58958835) is 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane.
What is the SMILES notation for 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane?
The canonical SMILES for 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane is CC(C)=CCC/C(C)=C/COCC1(C)COC1.
What is the InChIKey of 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane?
The InChIKey is XSJKZYPVZVWAAC-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-9-16-10-15(4)11-17-12-15/h6,8H,5,7,9-12H2,1-4H3/b14-8+.
What are the key properties of 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane?
3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane has a molecular weight of 238.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methyloxetane is sourced from PubChem (CID 58958835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).