3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene

C14H24O2 — CID 141314733

IUPAC3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene
SMILESC=CC(C)(C)OC(C=CC)OC(C)(C)C=C
InChIInChI=1S/C14H24O2/c1-8-11-12(15-13(4,5)9-2)16-14(6,7)10-3/h8-12H,2-3H2,1,4-7H3
InChIKeyIBTTVNGOWPAZPI-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds7

About 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene

3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene (PubChem CID 141314733) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene.

Molecular Properties

Compound Name3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene
PubChem CID141314733
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene
SMILESC=CC(C)(C)OC(C=CC)OC(C)(C)C=C
InChIInChI=1S/C14H24O2/c1-8-11-12(15-13(4,5)9-2)16-14(6,7)10-3/h8-12H,2-3H2,1,4-7H3
InChIKeyIBTTVNGOWPAZPI-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
1,1-Diethoxyhex-2-ene
CID 93366
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
1,1-Diethoxy-2-butene
CID 99778
trans-2-Butenal diethyl acetal
CID 6278424
1,1-Diethoxy-3-methyl-2-butene
CID 5215320
2,6-Nonadienal diethyl acetal
CID 6437114
Propionaldehyde dicrotyl acetal
CID 6437580
1,3-Dioxepin, 2-(1,1-dimethylethyl)-4,7-dihydro-
CID 11062630
(2Z)-1-(1-Ethoxyethoxy)-2-hexene
CID 20841373

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene?
The IUPAC name of 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene (CID 141314733) is 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene.
What is the SMILES notation for 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene?
The canonical SMILES for 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene is C=CC(C)(C)OC(C=CC)OC(C)(C)C=C.
What is the InChIKey of 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene?
The InChIKey is IBTTVNGOWPAZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-8-11-12(15-13(4,5)9-2)16-14(6,7)10-3/h8-12H,2-3H2,1,4-7H3.
What are the key properties of 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene?
3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene has a molecular weight of 224.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene is sourced from PubChem (CID 141314733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).