2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate

C58H110N2O8S — CID 88746515

IUPAC2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
SMILESCC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C30H58O4S.C28H52N2O4/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2;1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21/h3-28H2,1-2H3;20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34)
InChIKeyKIYKJXZRXZQACM-UHFFFAOYSA-N
MW995.59 g/mol
LogP15.41
Rot. Bonds39

About 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate

2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate (PubChem CID 88746515) has the molecular formula C58H110N2O8S and a molecular weight of 995.59 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
PubChem CID88746515
Molecular FormulaC58H110N2O8S
Molecular Weight995.59 g/mol
Exact Mass994.80
IUPAC Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
SMILESCC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C30H58O4S.C28H52N2O4/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2;1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21/h3-28H2,1-2H3;20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34)
InChIKeyKIYKJXZRXZQACM-UHFFFAOYSA-N
XLogP15.41
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds39
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.59
LogP ≤ 515.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
CID 21293228
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
CID 21293230
3-(3-oxo-3-tetradecoxypropyl)sulfanylpropanoic acid
CID 54057979
3-(2-carboxyethylsulfanyl)propanoic acid;dodecyl octadecanoate
CID 159460444
dihexyl nonanedioate;5,5-dihexylnonanedioic acid
CID 175853523
CID 173301944
CID 173301944
8-(10-nonanoyloxydecanoyloxy)octanoic acid
CID 173430215
didecyl hexanedioate;dioctyl hexanedioate;bis(hexanedioic acid)
CID 159854583
dioctyl decanedioate;6-octoxy-6-oxohexanoic acid
CID 158310506
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate (CID 88746515) is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate is CC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC.
What is the InChIKey of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate?
The InChIKey is KIYKJXZRXZQACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O4S.C28H52N2O4/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2;1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21/h3-28H2,1-2H3;20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34).
What are the key properties of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate?
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate has a molecular weight of 995.59 g/mol, XLogP of 15.41, 39 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate is sourced from PubChem (CID 88746515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).