2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane

C15H26O — CID 91750490

IUPAC2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
SMILESC=CC1(C)CCCC(C)(CCC=C(C)C)O1
InChIInChI=1S/C15H26O/c1-6-14(4)11-8-12-15(5,16-14)10-7-9-13(2)3/h6,9H,1,7-8,10-12H2,2-5H3
InChIKeyUCUXXGXEGCFWQD-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds4

About 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane

2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane (PubChem CID 91750490) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane.

Molecular Properties

Compound Name2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
PubChem CID91750490
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
SMILESC=CC1(C)CCCC(C)(CCC=C(C)C)O1
InChIInChI=1S/C15H26O/c1-6-14(4)11-8-12-15(5,16-14)10-7-9-13(2)3/h6,9H,1,7-8,10-12H2,2-5H3
InChIKeyUCUXXGXEGCFWQD-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
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

(2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 56847472
(2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane
CID 162936538
2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
CID 85361278
hexane;2,5,6-trimethyl-2-(4-methylpent-3-enyl)-3,4-dihydropyran
CID 143749100
(3S)-3-[(4R,6S)-2,2,6-trimethyl-6-(4-methylpent-3-enyl)-1,3-dioxan-4-yl]pent-4-enoic acid
CID 24754800
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655
(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
1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane
CID 165442832
1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
CID 90888982
(2S)-3-(bromomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 121298365
cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
CID 102318246

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane?
The IUPAC name of 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane (CID 91750490) is 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane.
What is the SMILES notation for 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane?
The canonical SMILES for 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane is C=CC1(C)CCCC(C)(CCC=C(C)C)O1.
What is the InChIKey of 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane?
The InChIKey is UCUXXGXEGCFWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-6-14(4)11-8-12-15(5,16-14)10-7-9-13(2)3/h6,9H,1,7-8,10-12H2,2-5H3.
What are the key properties of 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane?
2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane has a molecular weight of 222.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane is sourced from PubChem (CID 91750490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).