2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid

C14H26O3 — CID 65259711

IUPAC2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid
SMILESCC1CCCCC1OCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H26O3/c1-11-7-4-5-8-12(11)17-10-6-9-14(2,3)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyVVMQRDVGYIVSCQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.47
Rot. Bonds6

About 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid

2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid (PubChem CID 65259711) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid
PubChem CID65259711
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid
SMILESCC1CCCCC1OCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H26O3/c1-11-7-4-5-8-12(11)17-10-6-9-14(2,3)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyVVMQRDVGYIVSCQ-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid (CID 65259711) is 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid is CC1CCCCC1OCCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid?
The InChIKey is VVMQRDVGYIVSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11-7-4-5-8-12(11)17-10-6-9-14(2,3)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid?
2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid is sourced from PubChem (CID 65259711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).