2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene

C10H20O — CID 123582337

IUPAC2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC=C(C)C(C)COC(C)(C)C
InChIInChI=1S/C10H20O/c1-8(2)9(3)7-11-10(4,5)6/h9H,1,7H2,2-6H3
InChIKeyGKJSIUZDRXJSQT-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.01
Rot. Bonds3

About 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene

2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene (PubChem CID 123582337) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene.

Molecular Properties

Compound Name2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
PubChem CID123582337
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC=C(C)C(C)COC(C)(C)C
InChIInChI=1S/C10H20O/c1-8(2)9(3)7-11-10(4,5)6/h9H,1,7H2,2-6H3
InChIKeyGKJSIUZDRXJSQT-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Isopentenyl ether
CID 22034429
(((3-Methylbut-3-en-1-yl)oxy)methyl)cyclopropane
CID 156599696
(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138922
2-Methyl-4-propoxybut-1-ene
CID 10749205
4-Butoxy-2-methylbut-1-ene
CID 12422923
2-Methyl-4-propan-2-yloxybut-1-ene
CID 12422925
2-Methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 15032743
2-Ethoxy-4-methylpent-1-ene
CID 20704869
2-Methyl-1-(3-methylbut-1-en-2-yloxy)butane
CID 57998900
4-Butan-2-yloxy-2-methylbut-1-ene
CID 58805576
2-(2-Methylbutoxy)pent-1-ene
CID 89028794
2-Ethoxy-3-ethyl-4-methylpenta-1,4-diene
CID 89318231

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The IUPAC name of 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene (CID 123582337) is 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene.
What is the SMILES notation for 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The canonical SMILES for 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene is C=C(C)C(C)COC(C)(C)C.
What is the InChIKey of 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The InChIKey is GKJSIUZDRXJSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)9(3)7-11-10(4,5)6/h9H,1,7H2,2-6H3.
What are the key properties of 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene is sourced from PubChem (CID 123582337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).