3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene

C10H18O — CID 21625930

IUPAC3,3-dimethyl-2-(2-methylprop-1-enoxy)but-1-ene
SMILESCC(=COC(=C)C(C)(C)C)C
InChIInChI=1S/C10H18O/c1-8(2)7-11-9(3)10(4,5)6/h7H,3H2,1-2,4-6H3
InChIKeyFODCPBPWGXCUEP-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.90
Rot. Bonds3

About 3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene

3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene (PubChem CID 21625930) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-methylprop-1-enoxy)but-1-ene.

Molecular Properties

Compound Name3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene
PubChem CID21625930
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3,3-dimethyl-2-(2-methylprop-1-enoxy)but-1-ene
SMILESCC(=COC(=C)C(C)(C)C)C
InChIInChI=1S/C10H18O/c1-8(2)7-11-9(3)10(4,5)6/h7H,3H2,1-2,4-6H3
InChIKeyFODCPBPWGXCUEP-UHFFFAOYSA-N
XLogP3.90
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-2-methyl-1-butene (trans)
CID 3033474
1-Methoxy-2-methyl-1-butene
CID 3033475
2-Methyl-3-((2-methylprop-1-en-1-yl)oxy)but-2-ene
CID 21625927
3-Methyl-2-(2-methyl-propenyloxy)-but-1-ene
CID 21625928
(E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138919
(E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138923
3-(Butoxymethylidene)pentane
CID 22234811
(1E)-1-methoxy-3,3,6-trimethylhepta-1,4,5-triene
CID 12527670
(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138922
1-Methoxy-2-methylbut-1-ene
CID 50543
3-(Ethoxymethylidene)pentane
CID 12512193
2-Ethoxy-3,3-dimethylbut-1-ene
CID 12561297

Frequently Asked Questions

What is the IUPAC name of 3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene?
The IUPAC name of 3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene (CID 21625930) is 3,3-dimethyl-2-(2-methylprop-1-enoxy)but-1-ene.
What is the SMILES notation for 3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene?
The canonical SMILES for 3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene is CC(=COC(=C)C(C)(C)C)C.
What is the InChIKey of 3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene?
The InChIKey is FODCPBPWGXCUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)7-11-9(3)10(4,5)6/h7H,3H2,1-2,4-6H3.
What are the key properties of 3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene?
3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene has a molecular weight of 154.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene is sourced from PubChem (CID 21625930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).