1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid

C15H26O2 — CID 79429426

IUPAC1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESC=CCCCC1(C(=O)O)CCC(C(C)C)CC1
InChIInChI=1S/C15H26O2/c1-4-5-6-9-15(14(16)17)10-7-13(8-11-15)12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H,16,17)
InChIKeyYKSIAMFYIMLUIZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.26
Rot. Bonds6

About 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid

1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 79429426) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID79429426
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESC=CCCCC1(C(=O)O)CCC(C(C)C)CC1
InChIInChI=1S/C15H26O2/c1-4-5-6-9-15(14(16)17)10-7-13(8-11-15)12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H,16,17)
InChIKeyYKSIAMFYIMLUIZ-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65425689
1-heptyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65423946
4-butyl-1-hept-6-enylcyclohexane-1-carboxylic acid
CID 107007922
1-pent-3-ynyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 104813004
2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid
CID 89095680
4-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxylic acid
CID 116627842
1-(2-hydroxybutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429049
1,1-dioxo-3-pent-4-enylthiolane-3-carboxylic acid
CID 115337871
1-butyl-4-methylcyclohexane-1-carboxylic acid
CID 65395323
1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79428850
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-pent-4-enylpyrrolidine-3-carboxylic acid
CID 79426257
1-but-3-enyl-3-ethylcyclohexane-1-carboxylic acid
CID 79428476

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 79429426) is 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid is C=CCCCC1(C(=O)O)CCC(C(C)C)CC1.
What is the InChIKey of 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is YKSIAMFYIMLUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-9-15(14(16)17)10-7-13(8-11-15)12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H,16,17).
What are the key properties of 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid?
1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 238.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79429426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).