2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene

C11H20O2 — CID 20504084

IUPAC2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene
SMILESC=C(C)CCOCOCCC(=C)C
InChIInChI=1S/C11H20O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h1,3,5-9H2,2,4H3
InChIKeyITBHGXZJGNAXQA-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds8

About 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene

2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene (PubChem CID 20504084) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene.

Molecular Properties

Compound Name2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene
PubChem CID20504084
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene
SMILESC=C(C)CCOCOCCC(=C)C
InChIInChI=1S/C11H20O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h1,3,5-9H2,2,4H3
InChIKeyITBHGXZJGNAXQA-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

4,4-Diethoxy-2-methylbut-1-ene
CID 542747
4,4-Dimethoxy-2-methylbut-1-ene
CID 14269856
Ethyl 3-methylbut-3-enyl carbonate
CID 91694424
4-[Bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene
CID 176949950
2-Methyl-4-[tris(2-fluoroethoxy)methoxy]but-1-ene
CID 176949957
3-Fluoro-4-(2-fluoropropoxymethoxy)-2-methylbut-1-ene
CID 176949980
4-[Bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene
CID 176949994
Isobutyl 3-methylbut-3-enyl carbonate
CID 91694423
4-Ethoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 15032737
Methyl (3-methylbut-3-en-1-yl) carbonate
CID 15272994
4,4,4-Triethoxy-2-methylbut-1-ene
CID 86056363
Tributyl[2-(2,2-diethoxyethyl)prop-2-en-1-yl]stannane
CID 175672908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene?
The IUPAC name of 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene (CID 20504084) is 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene.
What is the SMILES notation for 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene?
The canonical SMILES for 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene is C=C(C)CCOCOCCC(=C)C.
What is the InChIKey of 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene?
The InChIKey is ITBHGXZJGNAXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h1,3,5-9H2,2,4H3.
What are the key properties of 2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene?
2-methyl-4-(3-methylbut-3-enoxymethoxy)but-1-ene has a molecular weight of 184.28 g/mol, XLogP of 2.91, 8 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-3-enoxymethoxy)but-1-ene is sourced from PubChem (CID 20504084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).