2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid

C19H36O3 — CID 56625659

IUPAC2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid
SMILESCCCCCCCCC[C@@H](C)C1CC(O)CC(CC(=O)O)C1
InChIInChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-15(2)17-11-16(13-19(21)22)12-18(20)14-17/h15-18,20H,3-14H2,1-2H3,(H,21,22)/t15-,16?,17?,18?/m1/s1
InChIKeyZZWGUYSTZLBISQ-VGZZGSPPSA-N
MW312.49 g/mol
LogP5.02
Rot. Bonds11

About 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid

2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid (PubChem CID 56625659) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid
PubChem CID56625659
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid
SMILESCCCCCCCCC[C@@H](C)C1CC(O)CC(CC(=O)O)C1
InChIInChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-15(2)17-11-16(13-19(21)22)12-18(20)14-17/h15-18,20H,3-14H2,1-2H3,(H,21,22)/t15-,16?,17?,18?/m1/s1
InChIKeyZZWGUYSTZLBISQ-VGZZGSPPSA-N
XLogP5.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.02
H-Bond Donors ≤ 52
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-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid (CID 56625659) is 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid is CCCCCCCCC[C@@H](C)C1CC(O)CC(CC(=O)O)C1.
What is the InChIKey of 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid?
The InChIKey is ZZWGUYSTZLBISQ-VGZZGSPPSA-N. The full InChI is InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-15(2)17-11-16(13-19(21)22)12-18(20)14-17/h15-18,20H,3-14H2,1-2H3,(H,21,22)/t15-,16?,17?,18?/m1/s1.
What are the key properties of 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid?
2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid has a molecular weight of 312.49 g/mol, XLogP of 5.02, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 56625659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).