5-(3-methylcyclohexyl)-2-methylidenepentanoic acid

C13H22O2 — CID 90354978

IUPAC5-(3-methylcyclohexyl)-2-methylidenepentanoic acid
SMILESC=C(CCCC1CCCC(C)C1)C(=O)O
InChIInChI=1S/C13H22O2/c1-10-5-3-7-12(9-10)8-4-6-11(2)13(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyFTKGQIFBFZYKFM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.62
Rot. Bonds5

About 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid

5-(3-methylcyclohexyl)-2-methylidenepentanoic acid (PubChem CID 90354978) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-(3-methylcyclohexyl)-2-methylidenepentanoic acid
PubChem CID90354978
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5-(3-methylcyclohexyl)-2-methylidenepentanoic acid
SMILESC=C(CCCC1CCCC(C)C1)C(=O)O
InChIInChI=1S/C13H22O2/c1-10-5-3-7-12(9-10)8-4-6-11(2)13(14)15/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyFTKGQIFBFZYKFM-UHFFFAOYSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid?
The IUPAC name of 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid (CID 90354978) is 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid.
What is the SMILES notation for 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid?
The canonical SMILES for 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid is C=C(CCCC1CCCC(C)C1)C(=O)O.
What is the InChIKey of 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid?
The InChIKey is FTKGQIFBFZYKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-5-3-7-12(9-10)8-4-6-11(2)13(14)15/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid?
5-(3-methylcyclohexyl)-2-methylidenepentanoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclohexyl)-2-methylidenepentanoic acid is sourced from PubChem (CID 90354978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).