(2R)-2-(2-methylprop-2-enyl)oxolan-3-one

C8H12O2 — CID 102095015

IUPAC(2R)-2-(2-methylprop-2-enyl)oxolan-3-one
SMILESC=C(C)C[C@H]1OCCC1=O
InChIInChI=1S/C8H12O2/c1-6(2)5-8-7(9)3-4-10-8/h8H,1,3-5H2,2H3/t8-/m1/s1
InChIKeyALQVFBIHFYUGTG-MRVPVSSYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About (2R)-2-(2-methylprop-2-enyl)oxolan-3-one

(2R)-2-(2-methylprop-2-enyl)oxolan-3-one (PubChem CID 102095015) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2R)-2-(2-methylprop-2-enyl)oxolan-3-one.

Molecular Properties

Compound Name(2R)-2-(2-methylprop-2-enyl)oxolan-3-one
PubChem CID102095015
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2R)-2-(2-methylprop-2-enyl)oxolan-3-one
SMILESC=C(C)C[C@H]1OCCC1=O
InChIInChI=1S/C8H12O2/c1-6(2)5-8-7(9)3-4-10-8/h8H,1,3-5H2,2H3/t8-/m1/s1
InChIKeyALQVFBIHFYUGTG-MRVPVSSYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2-prop-2-enyl-5-propyloxolan-3-one
CID 121242267
(4S)-4-(2-methylprop-2-enyl)oxolan-3-one
CID 102262260
5-Pentyl-2-prop-2-enyloxolan-3-one
CID 135023370
5-But-3-enyl-2-prop-2-enyloxolan-3-one
CID 135042230
2-Pent-4-enyloxolan-3-one
CID 145994577
2-Methyl-1-(oxolan-2-yl)prop-2-en-1-one
CID 13878820
3-Methyl-1-(oxolan-2-yl)but-3-en-2-one
CID 58325603
2,5-Bis(prop-2-enyl)oxolan-3-one
CID 70522629
(2S,5S)-5-butyl-2-prop-2-enyloxolan-3-one
CID 144744568
(1R,6S)-4-methylidene-9-oxabicyclo[4.2.1]nonan-7-one
CID 9989422
5-Methyl-2-prop-2-enyloxolan-3-one
CID 13664540
3-Methylidene-1-(oxolan-2-yl)pentan-1-one
CID 66043836

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylprop-2-enyl)oxolan-3-one?
The IUPAC name of (2R)-2-(2-methylprop-2-enyl)oxolan-3-one (CID 102095015) is (2R)-2-(2-methylprop-2-enyl)oxolan-3-one.
What is the SMILES notation for (2R)-2-(2-methylprop-2-enyl)oxolan-3-one?
The canonical SMILES for (2R)-2-(2-methylprop-2-enyl)oxolan-3-one is C=C(C)C[C@H]1OCCC1=O.
What is the InChIKey of (2R)-2-(2-methylprop-2-enyl)oxolan-3-one?
The InChIKey is ALQVFBIHFYUGTG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)5-8-7(9)3-4-10-8/h8H,1,3-5H2,2H3/t8-/m1/s1.
What are the key properties of (2R)-2-(2-methylprop-2-enyl)oxolan-3-one?
(2R)-2-(2-methylprop-2-enyl)oxolan-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylprop-2-enyl)oxolan-3-one is sourced from PubChem (CID 102095015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).