4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid

C20H32O2 — CID 162980420

IUPAC4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(C=CC=C(C)C1CCC(C(=O)O)CC1)=CCCC(C)C
InChIInChI=1S/C20H32O2/c1-15(2)7-5-8-16(3)9-6-10-17(4)18-11-13-19(14-12-18)20(21)22/h6,8-10,15,18-19H,5,7,11-14H2,1-4H3,(H,21,22)
InChIKeyYFJCFMFCDTWZAZ-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.76
Rot. Bonds7

About 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid

4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 162980420) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid
PubChem CID162980420
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(C=CC=C(C)C1CCC(C(=O)O)CC1)=CCCC(C)C
InChIInChI=1S/C20H32O2/c1-15(2)7-5-8-16(3)9-6-10-17(4)18-11-13-19(14-12-18)20(21)22/h6,8-10,15,18-19H,5,7,11-14H2,1-4H3,(H,21,22)
InChIKeyYFJCFMFCDTWZAZ-UHFFFAOYSA-N
XLogP5.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid (CID 162980420) is 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid is CC(C=CC=C(C)C1CCC(C(=O)O)CC1)=CCCC(C)C.
What is the InChIKey of 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is YFJCFMFCDTWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-15(2)7-5-8-16(3)9-6-10-17(4)18-11-13-19(14-12-18)20(21)22/h6,8-10,15,18-19H,5,7,11-14H2,1-4H3,(H,21,22).
What are the key properties of 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid?
4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 304.47 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,10-dimethylundeca-2,4,6-trien-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162980420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).