3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene

C13H26O2 — CID 172778067

IUPAC3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene
SMILESCC(C)=CC(OCCC(C)C)OC(C)C
InChIInChI=1S/C13H26O2/c1-10(2)7-8-14-13(9-11(3)4)15-12(5)6/h9-10,12-13H,7-8H2,1-6H3
InChIKeyMEEKRKVCHGWTSP-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.77
Rot. Bonds7

About 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene

3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene (PubChem CID 172778067) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene
PubChem CID172778067
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene
SMILESCC(C)=CC(OCCC(C)C)OC(C)C
InChIInChI=1S/C13H26O2/c1-10(2)7-8-14-13(9-11(3)4)15-12(5)6/h9-10,12-13H,7-8H2,1-6H3
InChIKeyMEEKRKVCHGWTSP-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.77
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-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-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

1-but-2-en-2-yloxy-3-methylbutane
CID 123230570
3-methylbutoxymethanediol
CID 54490534
3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
CID 88620872
1-but-3-en-2-yloxy-3-methylbutane
CID 87270981
3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444983
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol
CID 174965331
1-(3-methylbutoxy)ethyl formate
CID 173200690
2-methyl-1-(3-methylbutoxy)pentan-1-ol
CID 57131480
2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
CID 87594650
1-(3-methylbutoxy)pentan-1-ol
CID 87974594

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene?
The IUPAC name of 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene (CID 172778067) is 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene.
What is the SMILES notation for 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene?
The canonical SMILES for 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene is CC(C)=CC(OCCC(C)C)OC(C)C.
What is the InChIKey of 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene?
The InChIKey is MEEKRKVCHGWTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)7-8-14-13(9-11(3)4)15-12(5)6/h9-10,12-13H,7-8H2,1-6H3.
What are the key properties of 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene?
3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene has a molecular weight of 214.35 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutoxy)-1-propan-2-yloxybut-2-ene is sourced from PubChem (CID 172778067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).