(4S)-4-(2-methylprop-2-enyl)oxolan-3-one

C8H12O2 — CID 102262260

IUPAC(4S)-4-(2-methylprop-2-enyl)oxolan-3-one
SMILESC=C(C)C[C@H]1COCC1=O
InChIInChI=1S/C8H12O2/c1-6(2)3-7-4-10-5-8(7)9/h7H,1,3-5H2,2H3/t7-/m0/s1
InChIKeyDYHCUIODCYNEDJ-ZETCQYMHSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds2

About (4S)-4-(2-methylprop-2-enyl)oxolan-3-one

(4S)-4-(2-methylprop-2-enyl)oxolan-3-one (PubChem CID 102262260) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4S)-4-(2-methylprop-2-enyl)oxolan-3-one.

Molecular Properties

Compound Name(4S)-4-(2-methylprop-2-enyl)oxolan-3-one
PubChem CID102262260
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4S)-4-(2-methylprop-2-enyl)oxolan-3-one
SMILESC=C(C)C[C@H]1COCC1=O
InChIInChI=1S/C8H12O2/c1-6(2)3-7-4-10-5-8(7)9/h7H,1,3-5H2,2H3/t7-/m0/s1
InChIKeyDYHCUIODCYNEDJ-ZETCQYMHSA-N
XLogP1.17
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 ≤ 51.17
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

2-But-3-en-2-yloxolan-3-one
CID 13664543
2,5-Dimethyl-4-prop-2-enyloxolan-3-one
CID 145998032
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-one
CID 79190486
5-Methylidene-2-propan-2-yloxolan-3-one
CID 90444360
Ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone
CID 145266085
3-Methyl-1-(oxolan-3-yl)but-3-en-1-one
CID 79177142
2-(2-Methylprop-2-enyl)oxolan-3-one
CID 85765548
(2R)-2-(2-methylprop-2-enyl)oxolan-3-one
CID 102095015
2-Methyl-1-(5-methyloxolan-3-yl)prop-2-en-1-one
CID 115780901
2-Methyl-1-(2-methyloxolan-3-yl)prop-2-en-1-one
CID 115781019
4-(2-Methylprop-2-enyl)oxolan-3-one
CID 130036415
4-But-3-en-2-yl-2,2-dimethyloxolan-3-one
CID 130674138

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylprop-2-enyl)oxolan-3-one?
The IUPAC name of (4S)-4-(2-methylprop-2-enyl)oxolan-3-one (CID 102262260) is (4S)-4-(2-methylprop-2-enyl)oxolan-3-one.
What is the SMILES notation for (4S)-4-(2-methylprop-2-enyl)oxolan-3-one?
The canonical SMILES for (4S)-4-(2-methylprop-2-enyl)oxolan-3-one is C=C(C)C[C@H]1COCC1=O.
What is the InChIKey of (4S)-4-(2-methylprop-2-enyl)oxolan-3-one?
The InChIKey is DYHCUIODCYNEDJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)3-7-4-10-5-8(7)9/h7H,1,3-5H2,2H3/t7-/m0/s1.
What are the key properties of (4S)-4-(2-methylprop-2-enyl)oxolan-3-one?
(4S)-4-(2-methylprop-2-enyl)oxolan-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylprop-2-enyl)oxolan-3-one is sourced from PubChem (CID 102262260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).