(3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one

C8H12O2 — CID 10510939

IUPAC(3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@@H]1COC(=O)[C@@H]1C
InChIInChI=1S/C8H12O2/c1-5(2)7-4-10-8(9)6(7)3/h6-7H,1,4H2,2-3H3/t6-,7+/m1/s1
InChIKeyCZKVPCCCXTYAGR-RQJHMYQMSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds1

About (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one

(3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one (PubChem CID 10510939) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one
PubChem CID10510939
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@@H]1COC(=O)[C@@H]1C
InChIInChI=1S/C8H12O2/c1-5(2)7-4-10-8(9)6(7)3/h6-7H,1,4H2,2-3H3/t6-,7+/m1/s1
InChIKeyCZKVPCCCXTYAGR-RQJHMYQMSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2(3H)-Furanone, dihydro-4-(1-methylethenyl)-
CID 10796749
(4R)-4-prop-1-en-2-yloxolan-2-one
CID 13745734
(3S,4S)-3,4-dimethyl-3-prop-2-enyloxolan-2-one
CID 11400886
(3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one
CID 11833269
(4r)-4-Ethenyl-5,5-dimethyltetrahydrofuran-2-one
CID 45113698
Ethyl 2,3,4-trimethylpent-4-enoate
CID 101400101
(3R,4S)-3,4-dimethyl-3-prop-2-enyloxolan-2-one
CID 102238801
3-Buta-2,3-dien-2-yloxolan-2-one
CID 139254710
(3R)-3-pent-1-en-3-yloxolan-2-one
CID 139254715
(1,2-Dimethylallyl)dihydrofuran-2(3H)-one
CID 3024123
3-Methylbut-3-enyl 2-methylpentanoate
CID 170849350
3-Oxabicyclo[3.3.0]oct-6-en-2-one, 7-methyl-
CID 556777

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one?
The IUPAC name of (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one (CID 10510939) is (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one is C=C(C)[C@@H]1COC(=O)[C@@H]1C.
What is the InChIKey of (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one?
The InChIKey is CZKVPCCCXTYAGR-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12O2/c1-5(2)7-4-10-8(9)6(7)3/h6-7H,1,4H2,2-3H3/t6-,7+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one?
(3R,4R)-3-methyl-4-prop-1-en-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 (3R,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 10510939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).