2-methyl-5-(oxolan-2-yl)pent-1-en-3-one

C10H16O2 — CID 115780995

IUPAC2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
SMILESC=C(C)C(=O)CCC1CCCO1
InChIInChI=1S/C10H16O2/c1-8(2)10(11)6-5-9-4-3-7-12-9/h9H,1,3-7H2,2H3
InChIKeyGBQQTNZOLWKQLP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds4

About 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one

2-methyl-5-(oxolan-2-yl)pent-1-en-3-one (PubChem CID 115780995) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one.

Molecular Properties

Compound Name2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
PubChem CID115780995
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
SMILESC=C(C)C(=O)CCC1CCCO1
InChIInChI=1S/C10H16O2/c1-8(2)10(11)6-5-9-4-3-7-12-9/h9H,1,3-7H2,2H3
InChIKeyGBQQTNZOLWKQLP-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-(oxolan-2-yl)hex-4-en-3-one
CID 103447394
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 114472115
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
4-cyclopropyl-1-(oxolan-2-yl)pentan-3-one
CID 114976906
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 116592114
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one?
The IUPAC name of 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one (CID 115780995) is 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one.
What is the SMILES notation for 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one?
The canonical SMILES for 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one is C=C(C)C(=O)CCC1CCCO1.
What is the InChIKey of 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one?
The InChIKey is GBQQTNZOLWKQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)10(11)6-5-9-4-3-7-12-9/h9H,1,3-7H2,2H3.
What are the key properties of 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one?
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-2-yl)pent-1-en-3-one is sourced from PubChem (CID 115780995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).