2,3-dimethyl-1-propoxybut-2-ene

C9H18O — CID 90890526

IUPAC2,3-dimethyl-1-propoxybut-2-ene
SMILESCCCOCC(C)=C(C)C
InChIInChI=1S/C9H18O/c1-5-6-10-7-9(4)8(2)3/h5-7H2,1-4H3
InChIKeySVCNAUIGBYRPEA-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds4

About 2,3-dimethyl-1-propoxybut-2-ene

2,3-dimethyl-1-propoxybut-2-ene (PubChem CID 90890526) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,3-dimethyl-1-propoxybut-2-ene.

Molecular Properties

Compound Name2,3-dimethyl-1-propoxybut-2-ene
PubChem CID90890526
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,3-dimethyl-1-propoxybut-2-ene
SMILESCCCOCC(C)=C(C)C
InChIInChI=1S/C9H18O/c1-5-6-10-7-9(4)8(2)3/h5-7H2,1-4H3
InChIKeySVCNAUIGBYRPEA-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propoxybut-2-ene?
The IUPAC name of 2,3-dimethyl-1-propoxybut-2-ene (CID 90890526) is 2,3-dimethyl-1-propoxybut-2-ene.
What is the SMILES notation for 2,3-dimethyl-1-propoxybut-2-ene?
The canonical SMILES for 2,3-dimethyl-1-propoxybut-2-ene is CCCOCC(C)=C(C)C.
What is the InChIKey of 2,3-dimethyl-1-propoxybut-2-ene?
The InChIKey is SVCNAUIGBYRPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-6-10-7-9(4)8(2)3/h5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-propoxybut-2-ene?
2,3-dimethyl-1-propoxybut-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 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-propoxybut-2-ene is sourced from PubChem (CID 90890526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).