2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid

C13H22O3 — CID 67538303

IUPAC2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid
SMILESCCCC=CC1C(O)CCC1(C)CC(=O)O
InChIInChI=1S/C13H22O3/c1-3-4-5-6-10-11(14)7-8-13(10,2)9-12(15)16/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,15,16)
InChIKeyOMNIRNWYYPWZFQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.59
Rot. Bonds5

About 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid

2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid (PubChem CID 67538303) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid
PubChem CID67538303
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid
SMILESCCCC=CC1C(O)CCC1(C)CC(=O)O
InChIInChI=1S/C13H22O3/c1-3-4-5-6-10-11(14)7-8-13(10,2)9-12(15)16/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,15,16)
InChIKeyOMNIRNWYYPWZFQ-UHFFFAOYSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
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 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid?
The IUPAC name of 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid (CID 67538303) is 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid is CCCC=CC1C(O)CCC1(C)CC(=O)O.
What is the InChIKey of 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid?
The InChIKey is OMNIRNWYYPWZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-3-4-5-6-10-11(14)7-8-13(10,2)9-12(15)16/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid?
2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid has a molecular weight of 226.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-methyl-2-pent-1-enylcyclopentyl)acetic acid is sourced from PubChem (CID 67538303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).