2-(3-methylbut-3-enoxy)pentan-3-one

C10H18O2 — CID 114470306

IUPAC2-(3-methylbut-3-enoxy)pentan-3-one
SMILESC=C(C)CCOC(C)C(=O)CC
InChIInChI=1S/C10H18O2/c1-5-10(11)9(4)12-7-6-8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyQDKKCXHXJZXFGS-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds6

About 2-(3-methylbut-3-enoxy)pentan-3-one

2-(3-methylbut-3-enoxy)pentan-3-one (PubChem CID 114470306) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3-methylbut-3-enoxy)pentan-3-one.

Molecular Properties

Compound Name2-(3-methylbut-3-enoxy)pentan-3-one
PubChem CID114470306
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3-methylbut-3-enoxy)pentan-3-one
SMILESC=C(C)CCOC(C)C(=O)CC
InChIInChI=1S/C10H18O2/c1-5-10(11)9(4)12-7-6-8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyQDKKCXHXJZXFGS-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylbut-3-enoxy)pentan-3-one?
The IUPAC name of 2-(3-methylbut-3-enoxy)pentan-3-one (CID 114470306) is 2-(3-methylbut-3-enoxy)pentan-3-one.
What is the SMILES notation for 2-(3-methylbut-3-enoxy)pentan-3-one?
The canonical SMILES for 2-(3-methylbut-3-enoxy)pentan-3-one is C=C(C)CCOC(C)C(=O)CC.
What is the InChIKey of 2-(3-methylbut-3-enoxy)pentan-3-one?
The InChIKey is QDKKCXHXJZXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(11)9(4)12-7-6-8(2)3/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 2-(3-methylbut-3-enoxy)pentan-3-one?
2-(3-methylbut-3-enoxy)pentan-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enoxy)pentan-3-one is sourced from PubChem (CID 114470306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).