(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid

C10H16O3 — CID 131221986

IUPAC(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
SMILESC=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C10H16O3/c1-4-10(3)6-5-8(13-10)7(2)9(11)12/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-,10-/m1/s1
InChIKeySEGYPOKUPWNPPY-NQMVMOMDSA-N
MW184.23 g/mol
LogP1.83
Rot. Bonds3

About (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid

(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid (PubChem CID 131221986) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
PubChem CID131221986
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
SMILESC=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C10H16O3/c1-4-10(3)6-5-8(13-10)7(2)9(11)12/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-,10-/m1/s1
InChIKeySEGYPOKUPWNPPY-NQMVMOMDSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid (CID 131221986) is (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid is C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)O1.
What is the InChIKey of (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid?
The InChIKey is SEGYPOKUPWNPPY-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-10(3)6-5-8(13-10)7(2)9(11)12/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-,10-/m1/s1.
What are the key properties of (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid?
(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid is sourced from PubChem (CID 131221986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).