(E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid

C15H24O3 — CID 23786265

IUPAC(E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid
SMILESC/C(=C\CCC1(C)C2CCC(C2)C1(C)O)C(=O)O
InChIInChI=1S/C15H24O3/c1-10(13(16)17)5-4-8-14(2)11-6-7-12(9-11)15(14,3)18/h5,11-12,18H,4,6-9H2,1-3H3,(H,16,17)/b10-5+
InChIKeyQPVGQZZKAUMQSM-BJMVGYQFSA-N
MW252.35 g/mol
LogP2.98
Rot. Bonds4

About (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid

(E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid (PubChem CID 23786265) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid
PubChem CID23786265
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid
SMILESC/C(=C\CCC1(C)C2CCC(C2)C1(C)O)C(=O)O
InChIInChI=1S/C15H24O3/c1-10(13(16)17)5-4-8-14(2)11-6-7-12(9-11)15(14,3)18/h5,11-12,18H,4,6-9H2,1-3H3,(H,16,17)/b10-5+
InChIKeyQPVGQZZKAUMQSM-BJMVGYQFSA-N
XLogP2.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid?
The IUPAC name of (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid (CID 23786265) is (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid.
What is the SMILES notation for (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid?
The canonical SMILES for (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid is C/C(=C\CCC1(C)C2CCC(C2)C1(C)O)C(=O)O.
What is the InChIKey of (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid?
The InChIKey is QPVGQZZKAUMQSM-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(13(16)17)5-4-8-14(2)11-6-7-12(9-11)15(14,3)18/h5,11-12,18H,4,6-9H2,1-3H3,(H,16,17)/b10-5+.
What are the key properties of (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid?
(E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid has a molecular weight of 252.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid is sourced from PubChem (CID 23786265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).