2-(4-methyloct-1-en-4-yloxy)oxane

C14H26O2 — CID 15877491

IUPAC2-(4-methyloct-1-en-4-yloxy)oxane
SMILESC=CCC(C)(CCCC)OC1CCCCO1
InChIInChI=1S/C14H26O2/c1-4-6-11-14(3,10-5-2)16-13-9-7-8-12-15-13/h5,13H,2,4,6-12H2,1,3H3
InChIKeyWKGXMRVWVJQVOT-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.05
Rot. Bonds7

About 2-(4-methyloct-1-en-4-yloxy)oxane

2-(4-methyloct-1-en-4-yloxy)oxane (PubChem CID 15877491) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(4-methyloct-1-en-4-yloxy)oxane.

Molecular Properties

Compound Name2-(4-methyloct-1-en-4-yloxy)oxane
PubChem CID15877491
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(4-methyloct-1-en-4-yloxy)oxane
SMILESC=CCC(C)(CCCC)OC1CCCCO1
InChIInChI=1S/C14H26O2/c1-4-6-11-14(3,10-5-2)16-13-9-7-8-12-15-13/h5,13H,2,4,6-12H2,1,3H3
InChIKeyWKGXMRVWVJQVOT-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethyloct-1-en-3-yloxy)oxane
CID 139643960
[2-ethenyl-2-(oxan-2-yloxy)hexoxy]-dimethylsilane
CID 154481357
2-(2,2-dimethylhexoxy)oxane;ethane
CID 142212056
2-hept-1-en-3-yloxyoxane
CID 20796050
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-oct-1-en-3-yloxyoxane
CID 10727282
2-octacosoxyoxane
CID 11214102
N-(oxan-2-yloxy)hexanamide
CID 142707517
diethyl 2-[3-methyl-3-(oxan-2-yloxy)oct-1-enyl]cyclopropane-1,1-dicarboxylate
CID 54277252
(2S)-2-pent-4-enoxyoxane
CID 58779863
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyloct-1-en-4-yloxy)oxane?
The IUPAC name of 2-(4-methyloct-1-en-4-yloxy)oxane (CID 15877491) is 2-(4-methyloct-1-en-4-yloxy)oxane.
What is the SMILES notation for 2-(4-methyloct-1-en-4-yloxy)oxane?
The canonical SMILES for 2-(4-methyloct-1-en-4-yloxy)oxane is C=CCC(C)(CCCC)OC1CCCCO1.
What is the InChIKey of 2-(4-methyloct-1-en-4-yloxy)oxane?
The InChIKey is WKGXMRVWVJQVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-11-14(3,10-5-2)16-13-9-7-8-12-15-13/h5,13H,2,4,6-12H2,1,3H3.
What are the key properties of 2-(4-methyloct-1-en-4-yloxy)oxane?
2-(4-methyloct-1-en-4-yloxy)oxane has a molecular weight of 226.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyloct-1-en-4-yloxy)oxane is sourced from PubChem (CID 15877491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).