2-(2,5-dimethylhex-3-enoxy)oxane

C13H24O2 — CID 72593861

IUPAC2-(2,5-dimethylhex-3-enoxy)oxane
SMILESCC(C)C=CC(C)COC1CCCCO1
InChIInChI=1S/C13H24O2/c1-11(2)7-8-12(3)10-15-13-6-4-5-9-14-13/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyBDWVHOCWEJFDJU-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.38
Rot. Bonds5

About 2-(2,5-dimethylhex-3-enoxy)oxane

2-(2,5-dimethylhex-3-enoxy)oxane (PubChem CID 72593861) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(2,5-dimethylhex-3-enoxy)oxane.

Molecular Properties

Compound Name2-(2,5-dimethylhex-3-enoxy)oxane
PubChem CID72593861
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(2,5-dimethylhex-3-enoxy)oxane
SMILESCC(C)C=CC(C)COC1CCCCO1
InChIInChI=1S/C13H24O2/c1-11(2)7-8-12(3)10-15-13-6-4-5-9-14-13/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyBDWVHOCWEJFDJU-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.38
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

2H-Pyran, tetrahydro-2-[(6Z)-6-nonen-2-yn-1-yloxy]-
CID 177843239
2-But-3-enoxyoxane
CID 319945
2H-Pyran, 2-(3-hexen-1-yloxy)tetrahydro-
CID 3021738
3-Cyclopentenol tetrahydropyranyl ether
CID 14684775
(4Z)-1-(tetrahydropyran-2-yloxy)-4-decene
CID 67591886
(4Z,7Z)-1-(tetrahydropyran-2-yloxy)-4,7-decadiene
CID 10966579
2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane
CID 11808486
(E,4S)-4-methyl-5-(oxan-2-yloxy)pent-2-enal
CID 11183221
2-[(5E)-7-methylocta-5,7-dienoxy]oxane
CID 11183694
2-[(2S)-2-ethenylpentoxy]oxane
CID 11550183
2-[(5Z,7Z)-dodeca-5,7-dienoxy]oxane
CID 12819513
2-[(E)-non-4-enoxy]oxane
CID 15674282

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylhex-3-enoxy)oxane?
The IUPAC name of 2-(2,5-dimethylhex-3-enoxy)oxane (CID 72593861) is 2-(2,5-dimethylhex-3-enoxy)oxane.
What is the SMILES notation for 2-(2,5-dimethylhex-3-enoxy)oxane?
The canonical SMILES for 2-(2,5-dimethylhex-3-enoxy)oxane is CC(C)C=CC(C)COC1CCCCO1.
What is the InChIKey of 2-(2,5-dimethylhex-3-enoxy)oxane?
The InChIKey is BDWVHOCWEJFDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)7-8-12(3)10-15-13-6-4-5-9-14-13/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylhex-3-enoxy)oxane?
2-(2,5-dimethylhex-3-enoxy)oxane has a molecular weight of 212.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylhex-3-enoxy)oxane is sourced from PubChem (CID 72593861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).