2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane

C12H22O2 — CID 89224261

IUPAC2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane
SMILESC=CC(C)(C)C(C)C1OCC(C)CO1
InChIInChI=1S/C12H22O2/c1-6-12(4,5)10(3)11-13-7-9(2)8-14-11/h6,9-11H,1,7-8H2,2-5H3
InChIKeyXVFQXQJENFIDSB-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.84
Rot. Bonds3

About 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane

2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane (PubChem CID 89224261) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane
PubChem CID89224261
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane
SMILESC=CC(C)(C)C(C)C1OCC(C)CO1
InChIInChI=1S/C12H22O2/c1-6-12(4,5)10(3)11-13-7-9(2)8-14-11/h6,9-11H,1,7-8H2,2-5H3
InChIKeyXVFQXQJENFIDSB-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.84
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-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane
CID 89224243
2-methyloxirane;bis(prop-1-ene)
CID 157154960
5-bromo-2-propan-2-yl-1,3-dioxane
CID 130020603
(2R)-2-[(2S)-but-3-en-2-yl]oxirane
CID 10103123
5-methyl-1,3-dioxan-2-amine
CID 154516283
ethane;2-methyloxirane;prop-1-ene
CID 159933828
2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane
CID 144941728
ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
(2R)-2,3,3-trimethylpent-4-enenitrile
CID 163689292
5-methyl-2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-dioxane
CID 163570445
2-butan-2-yl-4-ethenyl-1,3-dioxolane
CID 71471387
ethyl 4-(5-methyl-1,3-dioxan-2-yl)-5-oxopentanoate
CID 58810954

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane?
The IUPAC name of 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane (CID 89224261) is 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane?
The canonical SMILES for 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane is C=CC(C)(C)C(C)C1OCC(C)CO1.
What is the InChIKey of 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane?
The InChIKey is XVFQXQJENFIDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-12(4,5)10(3)11-13-7-9(2)8-14-11/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane?
2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane has a molecular weight of 198.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane is sourced from PubChem (CID 89224261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).