(E)-2-methyl-1-propan-2-yloxybut-1-ene

C8H16O — CID 22234812

IUPAC(E)-2-methyl-1-propan-2-yloxybut-1-ene
SMILESCC/C(=C/OC(C)C)/C
InChIInChI=1S/C8H16O/c1-5-8(4)6-9-7(2)3/h6-7H,5H2,1-4H3/b8-6+
InChIKeyYBJBVQYBBOYCCN-SOFGYWHQSA-N
MW128.21 g/mol
LogP2.90
Rot. Bonds3

About (E)-2-methyl-1-propan-2-yloxybut-1-ene

(E)-2-methyl-1-propan-2-yloxybut-1-ene (PubChem CID 22234812) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-2-methyl-1-propan-2-yloxybut-1-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-propan-2-yloxybut-1-ene
PubChem CID22234812
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-2-methyl-1-propan-2-yloxybut-1-ene
SMILESCC/C(=C/OC(C)C)/C
InChIInChI=1S/C8H16O/c1-5-8(4)6-9-7(2)3/h6-7H,5H2,1-4H3/b8-6+
InChIKeyYBJBVQYBBOYCCN-SOFGYWHQSA-N
XLogP2.90
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity92

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.90
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

3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene
CID 21625930
3Butyl butenyl ether
CID 53685065
2-Isopropoxy-3-methyl-1-butene
CID 143366
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
3-(Butoxymethylidene)pentane
CID 22234811
(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138922
1-Methoxy-2-methylbut-1-ene
CID 50543
1-Butene, 3-methyl-2-(1-methylpropoxy)-
CID 521763

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-propan-2-yloxybut-1-ene?
The IUPAC name of (E)-2-methyl-1-propan-2-yloxybut-1-ene (CID 22234812) is (E)-2-methyl-1-propan-2-yloxybut-1-ene.
What is the SMILES notation for (E)-2-methyl-1-propan-2-yloxybut-1-ene?
The canonical SMILES for (E)-2-methyl-1-propan-2-yloxybut-1-ene is CC/C(=C/OC(C)C)/C.
What is the InChIKey of (E)-2-methyl-1-propan-2-yloxybut-1-ene?
The InChIKey is YBJBVQYBBOYCCN-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H16O/c1-5-8(4)6-9-7(2)3/h6-7H,5H2,1-4H3/b8-6+.
What are the key properties of (E)-2-methyl-1-propan-2-yloxybut-1-ene?
(E)-2-methyl-1-propan-2-yloxybut-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-propan-2-yloxybut-1-ene is sourced from PubChem (CID 22234812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).