(2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid

C10H16O4 — CID 162875437

IUPAC(2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid
SMILESC=C[C@@]1(C)CC[C@H]([C@H](CO)C(=O)O)O1
InChIInChI=1S/C10H16O4/c1-3-10(2)5-4-8(14-10)7(6-11)9(12)13/h3,7-8,11H,1,4-6H2,2H3,(H,12,13)/t7-,8+,10-/m0/s1
InChIKeyWLRVIKRNZCNFRS-XKSSXDPKSA-N
MW200.23 g/mol
LogP0.80
Rot. Bonds4

About (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid

(2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid (PubChem CID 162875437) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid
PubChem CID162875437
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid
SMILESC=C[C@@]1(C)CC[C@H]([C@H](CO)C(=O)O)O1
InChIInChI=1S/C10H16O4/c1-3-10(2)5-4-8(14-10)7(6-11)9(12)13/h3,7-8,11H,1,4-6H2,2H3,(H,12,13)/t7-,8+,10-/m0/s1
InChIKeyWLRVIKRNZCNFRS-XKSSXDPKSA-N
XLogP0.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2Z)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate
CID 45783069
2-(5-Ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
CID 44566293
(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butanoic acid
CID 162966177
methyl (3R,4R)-4-[[(2R,4R,5R)-4-ethyl-2-methyl-5-[(E)-prop-1-enyl]oxolan-2-yl]methyl]-3-hydroxyhexanoate
CID 10267539
(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 102174448
(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 131221986
ethyl (2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoate
CID 134828047
7-Hydroxy-6-((penta-1,4-dien-3-yloxy)carbonyl)non-8-enoic acid
CID 71528000
ethyl (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoate
CID 42642693
3-(5-Ethenyl-5-methyloxolan-2-yl)butanoic acid
CID 101414189
Methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate
CID 57481820
7-Methyl 1-penta-1,4-dien-3-yl 2-(1-hydroxyallyl)heptanedioate
CID 86716847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid (CID 162875437) is (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid is C=C[C@@]1(C)CC[C@H]([C@H](CO)C(=O)O)O1.
What is the InChIKey of (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid?
The InChIKey is WLRVIKRNZCNFRS-XKSSXDPKSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-10(2)5-4-8(14-10)7(6-11)9(12)13/h3,7-8,11H,1,4-6H2,2H3,(H,12,13)/t7-,8+,10-/m0/s1.
What are the key properties of (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid?
(2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid has a molecular weight of 200.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid is sourced from PubChem (CID 162875437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).