5-(2-methylpropoxy)pent-1-en-3-one

C9H16O2 — CID 161282003

IUPAC5-(2-methylpropoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCC(C)C
InChIInChI=1S/C9H16O2/c1-4-9(10)5-6-11-7-8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKeyLVIREVSNWFEXFA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.80
Rot. Bonds6

About 5-(2-methylpropoxy)pent-1-en-3-one

5-(2-methylpropoxy)pent-1-en-3-one (PubChem CID 161282003) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5-(2-methylpropoxy)pent-1-en-3-one.

Molecular Properties

Compound Name5-(2-methylpropoxy)pent-1-en-3-one
PubChem CID161282003
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5-(2-methylpropoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCC(C)C
InChIInChI=1S/C9H16O2/c1-4-9(10)5-6-11-7-8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKeyLVIREVSNWFEXFA-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one
CID 88647714
3-(2-methylpropoxy)propanoic acid
CID 15033462
5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 142398269
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 90191283
5-[3-(methylamino)propoxy]pent-1-en-3-one
CID 90191317
6-(2-methoxyethoxy)-5-methylhex-1-en-3-one
CID 158126506
N-[2-(2-methoxypropoxy)ethyl]-4-oxohex-5-enamide
CID 91257741
3-oxopent-4-enyl formate
CID 21299965
[4-(2-methylpropoxy)-2-oxobutyl]phosphonic acid
CID 88782698
3-(2-methylpropoxy)-N-propan-2-ylpropanehydrazide
CID 139340946

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)pent-1-en-3-one?
The IUPAC name of 5-(2-methylpropoxy)pent-1-en-3-one (CID 161282003) is 5-(2-methylpropoxy)pent-1-en-3-one.
What is the SMILES notation for 5-(2-methylpropoxy)pent-1-en-3-one?
The canonical SMILES for 5-(2-methylpropoxy)pent-1-en-3-one is C=CC(=O)CCOCC(C)C.
What is the InChIKey of 5-(2-methylpropoxy)pent-1-en-3-one?
The InChIKey is LVIREVSNWFEXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(10)5-6-11-7-8(2)3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 5-(2-methylpropoxy)pent-1-en-3-one?
5-(2-methylpropoxy)pent-1-en-3-one has a molecular weight of 156.22 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)pent-1-en-3-one is sourced from PubChem (CID 161282003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).