2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane

C8H14O2 — CID 23064937

IUPAC2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane
SMILESCC(C)=CCC1OC(C)O1
InChIInChI=1S/C8H14O2/c1-6(2)4-5-8-9-7(3)10-8/h4,7-8H,5H2,1-3H3
InChIKeyULAOSUSUSIBVGA-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds2

About 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane

2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane (PubChem CID 23064937) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane.

Molecular Properties

Compound Name2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane
PubChem CID23064937
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane
SMILESCC(C)=CCC1OC(C)O1
InChIInChI=1S/C8H14O2/c1-6(2)4-5-8-9-7(3)10-8/h4,7-8H,5H2,1-3H3
InChIKeyULAOSUSUSIBVGA-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
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

5,5-Dimethoxy-2-methylpent-2-ene
CID 12723434
(E)-1,1-dimethoxy-4-methylhex-3-ene
CID 13480984
(Z)-1,1-dimethoxy-4-methylhex-3-ene
CID 13480985
2-Pent-3-enoxyoxetane
CID 53822811
2-But-2-enyl-4-methyl-1,3-dioxetane
CID 69303786
3-But-1-enyl-2-methoxyoxetane
CID 70362229
2-Methyl-4-[4-(4-methylpent-3-enoxy)butyl]-1,3-dioxetane
CID 70638458
5-(3,3-Diethoxypropoxy)-2-methylpent-2-ene
CID 89266946
5,5-Diethoxy-3-methylpent-2-ene
CID 149802818
5,5-Diethoxy-2-methylpent-2-ene
CID 55269416
(E)-1,1-diethoxy-3,5,5-trimethylhex-3-ene
CID 101693392
(6E)-9,9-diethoxy-2,6-dimethylnona-2,6-diene
CID 146004753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane?
The IUPAC name of 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane (CID 23064937) is 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane.
What is the SMILES notation for 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane?
The canonical SMILES for 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane is CC(C)=CCC1OC(C)O1.
What is the InChIKey of 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane?
The InChIKey is ULAOSUSUSIBVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)4-5-8-9-7(3)10-8/h4,7-8H,5H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane?
2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane has a molecular weight of 142.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane is sourced from PubChem (CID 23064937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).