2,3-dimethyl-1-(2-methylpropoxy)but-2-ene

C10H20O — CID 164954383

IUPAC2,3-dimethyl-1-(2-methylpropoxy)but-2-ene
SMILESCC(C)=C(C)COCC(C)C
InChIInChI=1S/C10H20O/c1-8(2)6-11-7-10(5)9(3)4/h8H,6-7H2,1-5H3
InChIKeyAYXMDNVYVWUFCA-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.02
Rot. Bonds4

About 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene

2,3-dimethyl-1-(2-methylpropoxy)but-2-ene (PubChem CID 164954383) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methylpropoxy)but-2-ene
PubChem CID164954383
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,3-dimethyl-1-(2-methylpropoxy)but-2-ene
SMILESCC(C)=C(C)COCC(C)C
InChIInChI=1S/C10H20O/c1-8(2)6-11-7-10(5)9(3)4/h8H,6-7H2,1-5H3
InChIKeyAYXMDNVYVWUFCA-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene?
The IUPAC name of 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene (CID 164954383) is 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene.
What is the SMILES notation for 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene?
The canonical SMILES for 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene is CC(C)=C(C)COCC(C)C.
What is the InChIKey of 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene?
The InChIKey is AYXMDNVYVWUFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)6-11-7-10(5)9(3)4/h8H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene?
2,3-dimethyl-1-(2-methylpropoxy)but-2-ene has a molecular weight of 156.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methylpropoxy)but-2-ene is sourced from PubChem (CID 164954383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).