2-(1-tetradecylcyclohexyl)acetic acid

C22H42O2 — CID 172766747

IUPAC2-(1-tetradecylcyclohexyl)acetic acid
SMILESCCCCCCCCCCCCCCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22(20-21(23)24)18-15-13-16-19-22/h2-20H2,1H3,(H,23,24)
InChIKeyMKIUVAVGUYDETG-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.50
Rot. Bonds15

About 2-(1-tetradecylcyclohexyl)acetic acid

2-(1-tetradecylcyclohexyl)acetic acid (PubChem CID 172766747) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 2-(1-tetradecylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-tetradecylcyclohexyl)acetic acid
PubChem CID172766747
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name2-(1-tetradecylcyclohexyl)acetic acid
SMILESCCCCCCCCCCCCCCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22(20-21(23)24)18-15-13-16-19-22/h2-20H2,1H3,(H,23,24)
InChIKeyMKIUVAVGUYDETG-UHFFFAOYSA-N
XLogP7.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.50
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

2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
(1-hexylcyclohexyl)methanol
CID 66024993
1,1-di(nonyl)cyclopentane
CID 154318487
1,1-dioctylcyclopentane
CID 54295272
1,1-dipentylcyclononane
CID 169026027
1,1-dihexadecylcyclopentane
CID 141255150
methyl 8-(1-heptylcyclohexyl)octanoate
CID 118260042
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
3-[1-(2-carboxyethyl)-4,4-dioctadecylcyclohexyl]propanoic acid
CID 139787373

Frequently Asked Questions

What is the IUPAC name of 2-(1-tetradecylcyclohexyl)acetic acid?
The IUPAC name of 2-(1-tetradecylcyclohexyl)acetic acid (CID 172766747) is 2-(1-tetradecylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-tetradecylcyclohexyl)acetic acid?
The canonical SMILES for 2-(1-tetradecylcyclohexyl)acetic acid is CCCCCCCCCCCCCCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-(1-tetradecylcyclohexyl)acetic acid?
The InChIKey is MKIUVAVGUYDETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22(20-21(23)24)18-15-13-16-19-22/h2-20H2,1H3,(H,23,24).
What are the key properties of 2-(1-tetradecylcyclohexyl)acetic acid?
2-(1-tetradecylcyclohexyl)acetic acid has a molecular weight of 338.58 g/mol, XLogP of 7.50, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tetradecylcyclohexyl)acetic acid is sourced from PubChem (CID 172766747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).