1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid

C15H28O2 — CID 65425689

IUPAC1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCCCCCC1(C(=O)O)CCC(C(C)C)CC1
InChIInChI=1S/C15H28O2/c1-4-5-6-9-15(14(16)17)10-7-13(8-11-15)12(2)3/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyHFSYPLUDDOVXSY-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.48
Rot. Bonds6

About 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid

1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 65425689) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID65425689
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCCCCCC1(C(=O)O)CCC(C(C)C)CC1
InChIInChI=1S/C15H28O2/c1-4-5-6-9-15(14(16)17)10-7-13(8-11-15)12(2)3/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyHFSYPLUDDOVXSY-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65423946
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429426
4-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164
1-butyl-4-methylcyclohexane-1-carboxylic acid
CID 65395323
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-(2-hydroxybutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429049
1-pent-3-ynyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 104813004
4-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxylic acid
CID 116627842
1-decyl-4-propan-2-ylcyclohexane-1-carbonitrile
CID 65424660
1-(3-hydroxypropyl)-4-propylcyclohexane-1-carboxylic acid
CID 79428368

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 65425689) is 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid is CCCCCC1(C(=O)O)CCC(C(C)C)CC1.
What is the InChIKey of 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is HFSYPLUDDOVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-5-6-9-15(14(16)17)10-7-13(8-11-15)12(2)3/h12-13H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 240.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 65425689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).