6-(3,4-dimethylcyclohexyl)oxyhexanoic acid

C14H26O3 — CID 64747074

IUPAC6-(3,4-dimethylcyclohexyl)oxyhexanoic acid
SMILESCC1CCC(OCCCCCC(=O)O)CC1C
InChIInChI=1S/C14H26O3/c1-11-7-8-13(10-12(11)2)17-9-5-3-4-6-14(15)16/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyRDYQMHZWQSYQCT-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.47
Rot. Bonds7

About 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid

6-(3,4-dimethylcyclohexyl)oxyhexanoic acid (PubChem CID 64747074) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxyhexanoic acid
PubChem CID64747074
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name6-(3,4-dimethylcyclohexyl)oxyhexanoic acid
SMILESCC1CCC(OCCCCCC(=O)O)CC1C
InChIInChI=1S/C14H26O3/c1-11-7-8-13(10-12(11)2)17-9-5-3-4-6-14(15)16/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyRDYQMHZWQSYQCT-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

hexadecanoic acid;1,2,4-trimethylcyclohexane
CID 158194020
6-(3,4-dimethylcyclohexyl)oxyhexane-1-sulfonyl chloride
CID 64738338
methyl 2-amino-5-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoate
CID 64745594
4-(3,4-dimethylcyclohexyl)oxybutanenitrile
CID 64744374
6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide
CID 64746944
methyl 5-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)pentanoate
CID 64746965
8-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctanoic acid
CID 144528453
19-(3,5-dihydroxy-6-methyloxan-2-yl)oxynonadecanoic acid
CID 162822019
9-[(3S)-3,5-dihydroxy-6-methyloxan-2-yl]oxynonanoic acid
CID 144528411
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine
CID 106708691
6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine
CID 64744748
5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
CID 64738324

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid (CID 64747074) is 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid is CC1CCC(OCCCCCC(=O)O)CC1C.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid?
The InChIKey is RDYQMHZWQSYQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11-7-8-13(10-12(11)2)17-9-5-3-4-6-14(15)16/h11-13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid?
6-(3,4-dimethylcyclohexyl)oxyhexanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxyhexanoic acid is sourced from PubChem (CID 64747074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).