6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid

C20H34O4 — CID 69473661

IUPAC6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC(C)CCCCCCCC(C)OC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C20H34O4/c1-15(2)11-7-5-4-6-8-12-16(3)24-20(23)18-14-10-9-13-17(18)19(21)22/h9-10,15-18H,4-8,11-14H2,1-3H3,(H,21,22)
InChIKeyRGHHKRWGVAXUNO-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.97
Rot. Bonds11

About 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid

6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 69473661) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID69473661
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC(C)CCCCCCCC(C)OC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C20H34O4/c1-15(2)11-7-5-4-6-8-12-16(3)24-20(23)18-14-10-9-13-17(18)19(21)22/h9-10,15-18H,4-8,11-14H2,1-3H3,(H,21,22)
InChIKeyRGHHKRWGVAXUNO-UHFFFAOYSA-N
XLogP4.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,11-dimethyldodecan-3-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69476975
6-(17-methyloctadecan-3-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69473790
6-(17-methyloctadecan-4-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69473517
dioctan-2-yl cyclohex-4-ene-1,2-dicarboxylate
CID 69473549
6-(17-methyloctadecoxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69471280
6-(9-methyldecoxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69473448
6-(2,7-dimethyloctan-3-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69471766
6-(2,8-dimethylnonan-4-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69474335
6-(2-methylicosan-3-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69477241
3-(13-methyltetradecan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262558
3-(9-methyldecan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262692
bis(7-methyloctan-2-yl) cyclohexane-1,2-dicarboxylate
CID 138630127

Frequently Asked Questions

What is the IUPAC name of 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid (CID 69473661) is 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid is CC(C)CCCCCCCC(C)OC(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is RGHHKRWGVAXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-15(2)11-7-5-4-6-8-12-16(3)24-20(23)18-14-10-9-13-17(18)19(21)22/h9-10,15-18H,4-8,11-14H2,1-3H3,(H,21,22).
What are the key properties of 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 338.49 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-methylundecan-2-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 69473661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).