(4R)-3-methylidene-4-propan-2-yloxolan-2-one

C8H12O2 — CID 11412432

IUPAC(4R)-3-methylidene-4-propan-2-yloxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C8H12O2/c1-5(2)7-4-10-8(9)6(7)3/h5,7H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyKKONMRWKGWRTQF-SSDOTTSWSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds1

About (4R)-3-methylidene-4-propan-2-yloxolan-2-one

(4R)-3-methylidene-4-propan-2-yloxolan-2-one (PubChem CID 11412432) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4R)-3-methylidene-4-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(4R)-3-methylidene-4-propan-2-yloxolan-2-one
PubChem CID11412432
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4R)-3-methylidene-4-propan-2-yloxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C8H12O2/c1-5(2)7-4-10-8(9)6(7)3/h5,7H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyKKONMRWKGWRTQF-SSDOTTSWSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.37
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

gamma-Methyl-alpha-methylene-gamma-butyrolactone
CID 99939
alpha-Methylene-beta-methyl-gamma,gamma-dimethyl-gamma-butyrolactone
CID 13999518
(5S)-5-methyl-3-methylideneoxolan-2-one
CID 12303377
Ethyl 3-methyl-2-methylidenepentanoate
CID 122603319
5,5-Dimethyl-3-methylenedihydrofuran-2-one
CID 12303374
(5R)-5-methyl-3-methylideneoxolan-2-one
CID 12303376
(4S,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789118
(4R,5S)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789119
(4S,5S)-4-methyl-3-methylidene-5-propan-2-yloxolan-2-one
CID 14812498
4,4,5,5-Tetramethyl-3-methylideneoxolan-2-one
CID 329277
Ethyl 4-methyl-2-methylenepentanoate
CID 10909818
4,5-Dimethyl-3-methylideneoxolan-2-one
CID 12789117

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methylidene-4-propan-2-yloxolan-2-one?
The IUPAC name of (4R)-3-methylidene-4-propan-2-yloxolan-2-one (CID 11412432) is (4R)-3-methylidene-4-propan-2-yloxolan-2-one.
What is the SMILES notation for (4R)-3-methylidene-4-propan-2-yloxolan-2-one?
The canonical SMILES for (4R)-3-methylidene-4-propan-2-yloxolan-2-one is C=C1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4R)-3-methylidene-4-propan-2-yloxolan-2-one?
The InChIKey is KKONMRWKGWRTQF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O2/c1-5(2)7-4-10-8(9)6(7)3/h5,7H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of (4R)-3-methylidene-4-propan-2-yloxolan-2-one?
(4R)-3-methylidene-4-propan-2-yloxolan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methylidene-4-propan-2-yloxolan-2-one is sourced from PubChem (CID 11412432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).