5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane

C14H24O — CID 4180249

IUPAC5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane
SMILESCC(C)=CCCC12CCC(CO1)C(C)C2
InChIInChI=1S/C14H24O/c1-11(2)5-4-7-14-8-6-13(10-15-14)12(3)9-14/h5,12-13H,4,6-10H2,1-3H3
InChIKeyKKQNWHHIKMYVOO-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.94
Rot. Bonds3

About 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane

5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane (PubChem CID 4180249) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane.

Molecular Properties

Compound Name5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane
PubChem CID4180249
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane
SMILESCC(C)=CCCC12CCC(CO1)C(C)C2
InChIInChI=1S/C14H24O/c1-11(2)5-4-7-14-8-6-13(10-15-14)12(3)9-14/h5,12-13H,4,6-10H2,1-3H3
InChIKeyKKQNWHHIKMYVOO-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol
CID 23309499
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
(1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane
CID 164667457
(1S,2R,5R)-5-methyl-2-[(2S)-2-(4-methylpent-3-enyl)oxiran-2-yl]cyclohexan-1-ol
CID 25033702
1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane
CID 165442832
3-(4-methylpent-3-enyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171952164
cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
CID 102318246
(2S)-3-(bromomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 121298365
(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 11425969
1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone
CID 102050999
[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol
CID 552266

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane?
The IUPAC name of 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane (CID 4180249) is 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane.
What is the SMILES notation for 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane?
The canonical SMILES for 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane is CC(C)=CCCC12CCC(CO1)C(C)C2.
What is the InChIKey of 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane?
The InChIKey is KKQNWHHIKMYVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)5-4-7-14-8-6-13(10-15-14)12(3)9-14/h5,12-13H,4,6-10H2,1-3H3.
What are the key properties of 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane?
5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane has a molecular weight of 208.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane is sourced from PubChem (CID 4180249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).