15-(2,2-dichlorocyclohexyl)pentadecanoic acid

C21H38Cl2O2 — CID 54179254

IUPAC15-(2,2-dichlorocyclohexyl)pentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCC1CCCCC1(Cl)Cl
InChIInChI=1S/C21H38Cl2O2/c22-21(23)18-14-13-16-19(21)15-11-9-7-5-3-1-2-4-6-8-10-12-17-20(24)25/h19H,1-18H2,(H,24,25)
InChIKeyPAQHQWCPZOSOJA-UHFFFAOYSA-N
MW393.44 g/mol
LogP7.90
Rot. Bonds15

About 15-(2,2-dichlorocyclohexyl)pentadecanoic acid

15-(2,2-dichlorocyclohexyl)pentadecanoic acid (PubChem CID 54179254) has the molecular formula C21H38Cl2O2 and a molecular weight of 393.44 g/mol. Its IUPAC name is 15-(2,2-dichlorocyclohexyl)pentadecanoic acid.

Molecular Properties

Compound Name15-(2,2-dichlorocyclohexyl)pentadecanoic acid
PubChem CID54179254
Molecular FormulaC21H38Cl2O2
Molecular Weight393.44 g/mol
Exact Mass392.22
IUPAC Name15-(2,2-dichlorocyclohexyl)pentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCC1CCCCC1(Cl)Cl
InChIInChI=1S/C21H38Cl2O2/c22-21(23)18-14-13-16-19(21)15-11-9-7-5-3-1-2-4-6-8-10-12-17-20(24)25/h19H,1-18H2,(H,24,25)
InChIKeyPAQHQWCPZOSOJA-UHFFFAOYSA-N
XLogP7.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
6-(2,2,3,3-tetrachlorocyclotridecyl)hexanoyl 6-(2,2,3,3-tetrachlorocyclotridecyl)hexaneperoxoate
CID 160977924
16-(1-chlorocyclohexyl)hexadecanoic acid
CID 174354712
8-cyclobutyloctanoic acid
CID 72551210
6-[(10S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoic acid
CID 145266290
14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid
CID 142644074
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
3-(2,2-dichlorocyclopropyl)propanoic acid
CID 122163708
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262

Frequently Asked Questions

What is the IUPAC name of 15-(2,2-dichlorocyclohexyl)pentadecanoic acid?
The IUPAC name of 15-(2,2-dichlorocyclohexyl)pentadecanoic acid (CID 54179254) is 15-(2,2-dichlorocyclohexyl)pentadecanoic acid.
What is the SMILES notation for 15-(2,2-dichlorocyclohexyl)pentadecanoic acid?
The canonical SMILES for 15-(2,2-dichlorocyclohexyl)pentadecanoic acid is O=C(O)CCCCCCCCCCCCCCC1CCCCC1(Cl)Cl.
What is the InChIKey of 15-(2,2-dichlorocyclohexyl)pentadecanoic acid?
The InChIKey is PAQHQWCPZOSOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38Cl2O2/c22-21(23)18-14-13-16-19(21)15-11-9-7-5-3-1-2-4-6-8-10-12-17-20(24)25/h19H,1-18H2,(H,24,25).
What are the key properties of 15-(2,2-dichlorocyclohexyl)pentadecanoic acid?
15-(2,2-dichlorocyclohexyl)pentadecanoic acid has a molecular weight of 393.44 g/mol, XLogP of 7.90, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2,2-dichlorocyclohexyl)pentadecanoic acid is sourced from PubChem (CID 54179254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).