3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene

C11H20O2 — CID 10867011

IUPAC3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene
SMILESCC(C)=CCOCOCC=C(C)C
InChIInChI=1S/C11H20O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h5-6H,7-9H2,1-4H3
InChIKeyLRLHUGKKNIXVGY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds6

About 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene

3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene (PubChem CID 10867011) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene.

Molecular Properties

Compound Name3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene
PubChem CID10867011
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene
SMILESCC(C)=CCOCOCC=C(C)C
InChIInChI=1S/C11H20O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h5-6H,7-9H2,1-4H3
InChIKeyLRLHUGKKNIXVGY-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene?
The IUPAC name of 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene (CID 10867011) is 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene.
What is the SMILES notation for 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene?
The canonical SMILES for 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene is CC(C)=CCOCOCC=C(C)C.
What is the InChIKey of 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene?
The InChIKey is LRLHUGKKNIXVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h5-6H,7-9H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene?
3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene has a molecular weight of 184.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbut-2-enoxymethoxy)but-2-ene is sourced from PubChem (CID 10867011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).