(3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one

C10H14O2 — CID 10855848

IUPAC(3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one
SMILESC=C[C@H]1[C@H](C)C(=O)O[C@@H]1C(=C)C
InChIInChI=1S/C10H14O2/c1-5-8-7(4)10(11)12-9(8)6(2)3/h5,7-9H,1-2H2,3-4H3/t7-,8-,9+/m0/s1
InChIKeyRWPMUILWEWHZKN-XHNCKOQMSA-N
MW166.22 g/mol
LogP1.93
Rot. Bonds2

About (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one

(3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one (PubChem CID 10855848) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one
PubChem CID10855848
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one
SMILESC=C[C@H]1[C@H](C)C(=O)O[C@@H]1C(=C)C
InChIInChI=1S/C10H14O2/c1-5-8-7(4)10(11)12-9(8)6(2)3/h5,7-9H,1-2H2,3-4H3/t7-,8-,9+/m0/s1
InChIKeyRWPMUILWEWHZKN-XHNCKOQMSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one?
The IUPAC name of (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one (CID 10855848) is (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one is C=C[C@H]1[C@H](C)C(=O)O[C@@H]1C(=C)C.
What is the InChIKey of (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one?
The InChIKey is RWPMUILWEWHZKN-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-8-7(4)10(11)12-9(8)6(2)3/h5,7-9H,1-2H2,3-4H3/t7-,8-,9+/m0/s1.
What are the key properties of (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one?
(3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 10855848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).