2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid

C15H28O3 — CID 83042358

IUPAC2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
SMILESCCCC(C(=O)O)C1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C15H28O3/c1-4-6-13(14(16)17)15(18)9-5-7-12(8-10-15)11(2)3/h11-13,18H,4-10H2,1-3H3,(H,16,17)
InChIKeyXZOMVBUHQGMORB-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.45
Rot. Bonds5

About 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid

2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid (PubChem CID 83042358) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
PubChem CID83042358
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
SMILESCCCC(C(=O)O)C1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C15H28O3/c1-4-6-13(14(16)17)15(18)9-5-7-12(8-10-15)11(2)3/h11-13,18H,4-10H2,1-3H3,(H,16,17)
InChIKeyXZOMVBUHQGMORB-UHFFFAOYSA-N
XLogP3.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid?
The IUPAC name of 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid (CID 83042358) is 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid.
What is the SMILES notation for 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid?
The canonical SMILES for 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid is CCCC(C(=O)O)C1(O)CCCC(C(C)C)CC1.
What is the InChIKey of 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid?
The InChIKey is XZOMVBUHQGMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-4-6-13(14(16)17)15(18)9-5-7-12(8-10-15)11(2)3/h11-13,18H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid?
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid has a molecular weight of 256.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid is sourced from PubChem (CID 83042358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).