2-(1-dodecylcyclopropyl)acetic acid

C17H32O2 — CID 21495392

IUPAC2-(1-dodecylcyclopropyl)acetic acid
SMILESCCCCCCCCCCCCC1(CC(=O)O)CC1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-14-17)15-16(18)19/h2-15H2,1H3,(H,18,19)
InChIKeyZFIZBAOSYUCTHY-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.55
Rot. Bonds13

About 2-(1-dodecylcyclopropyl)acetic acid

2-(1-dodecylcyclopropyl)acetic acid (PubChem CID 21495392) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(1-dodecylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(1-dodecylcyclopropyl)acetic acid
PubChem CID21495392
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-(1-dodecylcyclopropyl)acetic acid
SMILESCCCCCCCCCCCCC1(CC(=O)O)CC1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-14-17)15-16(18)19/h2-15H2,1H3,(H,18,19)
InChIKeyZFIZBAOSYUCTHY-UHFFFAOYSA-N
XLogP5.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-dodecylcyclopropyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
3-[1-(2-carboxyethyl)-4,4-dioctadecylcyclohexyl]propanoic acid
CID 139787373
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
2-[1-(pentylsulfinylmethyl)cyclopropyl]acetic acid
CID 65442352
4,4-dihexylcyclohexane-1-carboxylic acid
CID 142634765
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443307
methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
CID 167558063
2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
CID 97424908
(1-hexylcyclohexyl)methanol
CID 66024993
1,1-di(nonyl)cyclopentane
CID 154318487

Frequently Asked Questions

What is the IUPAC name of 2-(1-dodecylcyclopropyl)acetic acid?
The IUPAC name of 2-(1-dodecylcyclopropyl)acetic acid (CID 21495392) is 2-(1-dodecylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(1-dodecylcyclopropyl)acetic acid?
The canonical SMILES for 2-(1-dodecylcyclopropyl)acetic acid is CCCCCCCCCCCCC1(CC(=O)O)CC1.
What is the InChIKey of 2-(1-dodecylcyclopropyl)acetic acid?
The InChIKey is ZFIZBAOSYUCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-14-17)15-16(18)19/h2-15H2,1H3,(H,18,19).
What are the key properties of 2-(1-dodecylcyclopropyl)acetic acid?
2-(1-dodecylcyclopropyl)acetic acid has a molecular weight of 268.44 g/mol, XLogP of 5.55, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dodecylcyclopropyl)acetic acid is sourced from PubChem (CID 21495392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).