cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol

C29H53NO5 — CID 70599265

IUPACcyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCCCCCCCCCN1C(C)(C)CC(O)CC1(C)C.O=C(O)C1CC=CCC1C(=O)O
InChIInChI=1S/C21H43NO.C8H10O4/c1-6-7-8-9-10-11-12-13-14-15-16-22-20(2,3)17-19(23)18-21(22,4)5;9-7(10)5-3-1-2-4-6(5)8(11)12/h19,23H,6-18H2,1-5H3;1-2,5-6H,3-4H2,(H,9,10)(H,11,12)
InChIKeyVCVCGTHQABFDBO-UHFFFAOYSA-N
MW495.75 g/mol
LogP6.66
Rot. Bonds13

About cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol

cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 70599265) has the molecular formula C29H53NO5 and a molecular weight of 495.75 g/mol. Its IUPAC name is cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Namecyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID70599265
Molecular FormulaC29H53NO5
Molecular Weight495.75 g/mol
Exact Mass495.39
IUPAC Namecyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCCCCCCCCCN1C(C)(C)CC(O)CC1(C)C.O=C(O)C1CC=CCC1C(=O)O
InChIInChI=1S/C21H43NO.C8H10O4/c1-6-7-8-9-10-11-12-13-14-15-16-22-20(2,3)17-19(23)18-21(22,4)5;9-7(10)5-3-1-2-4-6(5)8(11)12/h19,23H,6-18H2,1-5H3;1-2,5-6H,3-4H2,(H,9,10)(H,11,12)
InChIKeyVCVCGTHQABFDBO-UHFFFAOYSA-N
XLogP6.66
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.75
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-henicosoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69472499
(1S,6S)-6-(hexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40579321
6-undecoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69473502
6-octoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69471913
6-decoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69472503
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159
6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
6-(2-methylicosan-3-yloxycarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 69477241
(2R)-cyclohex-4-ene-1,2-dicarboxylic acid
CID 59116144
(1S,6R)-6-(dibutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7030737
3-hexylcyclohex-4-ene-1,2-dicarboxylic acid
CID 154117013

Frequently Asked Questions

What is the IUPAC name of cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol (CID 70599265) is cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol is CCCCCCCCCCCCN1C(C)(C)CC(O)CC1(C)C.O=C(O)C1CC=CCC1C(=O)O.
What is the InChIKey of cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is VCVCGTHQABFDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO.C8H10O4/c1-6-7-8-9-10-11-12-13-14-15-16-22-20(2,3)17-19(23)18-21(22,4)5;9-7(10)5-3-1-2-4-6(5)8(11)12/h19,23H,6-18H2,1-5H3;1-2,5-6H,3-4H2,(H,9,10)(H,11,12).
What are the key properties of cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol?
cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 495.75 g/mol, XLogP of 6.66, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 70599265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).