trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C15H22O4 — CID 124867036

IUPACtrans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=C[C@@H]1[C@H](C(=O)O[C@H]2C[C@@H](C)OC2=O)C1(C)C
InChIInChI=1S/C15H22O4/c1-8(2)6-10-12(15(10,4)5)14(17)19-11-7-9(3)18-13(11)16/h6,9-12H,7H2,1-5H3/t9-,10-,11+,12-/m1/s1
InChIKeySSBABTCVNOTZIL-WISYIIOYSA-N
MW266.34 g/mol
LogP2.47
Rot. Bonds3

About trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 124867036) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID124867036
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nametrans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=C[C@@H]1[C@H](C(=O)O[C@H]2C[C@@H](C)OC2=O)C1(C)C
InChIInChI=1S/C15H22O4/c1-8(2)6-10-12(15(10,4)5)14(17)19-11-7-9(3)18-13(11)16/h6,9-12H,7H2,1-5H3/t9-,10-,11+,12-/m1/s1
InChIKeySSBABTCVNOTZIL-WISYIIOYSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 124867036) is trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is CC(C)=C[C@@H]1[C@H](C(=O)O[C@H]2C[C@@H](C)OC2=O)C1(C)C.
What is the InChIKey of trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is SSBABTCVNOTZIL-WISYIIOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-8(2)6-10-12(15(10,4)5)14(17)19-11-7-9(3)18-13(11)16/h6,9-12H,7H2,1-5H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-[(3S,5R)-5-methyl-2-oxooxolan-3-yl] (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 124867036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).