2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid

C10H16O4 — CID 44566293

IUPAC2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
SMILESC=CC1(C)CCC(C(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)
InChIKeyWLRVIKRNZCNFRS-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.80
Rot. Bonds4

About 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid

2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid (PubChem CID 44566293) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
PubChem CID44566293
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
SMILESC=CC1(C)CCC(C(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)
InChIKeyWLRVIKRNZCNFRS-UHFFFAOYSA-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

(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 131221986
(2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
CID 162923110
3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-one
CID 529919
(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
CID 90477447
(4Z)-2-(5-ethenyl-5-methyloxolan-2-yl)-5-hydroxy-6-methylhepta-4,6-dien-3-one
CID 91727820
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441804
(2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-one
CID 102441802
1,3-bis[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-one
CID 54545713
(E,2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroxy-6-methylhept-4-en-3-one
CID 163189246
1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
CID 70555930
(5S)-5-ethenyl-5-methyloxolan-2-ol
CID 15241028
2-(5-ethenyl-5-methyloxolan-2-yl)-6-hydroperoxy-6-methylhept-4-en-3-one
CID 78410102

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid?
The IUPAC name of 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid (CID 44566293) is 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid is C=CC1(C)CCC(C(CO)C(=O)O)O1.
What is the InChIKey of 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid?
The InChIKey is WLRVIKRNZCNFRS-UHFFFAOYSA-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).
What are the key properties of 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid?
2-(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 2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 44566293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).