cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate

C34H60O3 — CID 22442315

IUPACcyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate
SMILESO=C(OC1CCCCCCCCC1)C(CO)=C(C1CCCCCCCCC1)C1CCCCCCCCC1
InChIInChI=1S/C34H60O3/c35-28-32(34(36)37-31-26-20-14-8-3-9-15-21-27-31)33(29-22-16-10-4-1-5-11-17-23-29)30-24-18-12-6-2-7-13-19-25-30/h29-31,35H,1-28H2
InChIKeyPTNDYDPLUASWDG-UHFFFAOYSA-N
MW516.85 g/mol
LogP9.99
Rot. Bonds5

About cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate

cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate (PubChem CID 22442315) has the molecular formula C34H60O3 and a molecular weight of 516.85 g/mol. Its IUPAC name is cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate.

Molecular Properties

Compound Namecyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate
PubChem CID22442315
Molecular FormulaC34H60O3
Molecular Weight516.85 g/mol
Exact Mass516.45
IUPAC Namecyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate
SMILESO=C(OC1CCCCCCCCC1)C(CO)=C(C1CCCCCCCCC1)C1CCCCCCCCC1
InChIInChI=1S/C34H60O3/c35-28-32(34(36)37-31-26-20-14-8-3-9-15-21-27-31)33(29-22-16-10-4-1-5-11-17-23-29)30-24-18-12-6-2-7-13-19-25-30/h29-31,35H,1-28H2
InChIKeyPTNDYDPLUASWDG-UHFFFAOYSA-N
XLogP9.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.85
LogP ≤ 59.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide
CID 67573511
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide
CID 67573773
cyclododecyl 2-methylidenebutanoate
CID 57244431
dicyclononyl carbonate
CID 139618210
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate
CID 68952375
cyclohexyl hydroxymethyl carbonate
CID 54112347
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclohexyl 2-trimethylsilylprop-2-enoate
CID 139634302
cycloheptyl hydrogen carbonate
CID 23179405

Frequently Asked Questions

What is the IUPAC name of cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate?
The IUPAC name of cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate (CID 22442315) is cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate.
What is the SMILES notation for cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate?
The canonical SMILES for cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate is O=C(OC1CCCCCCCCC1)C(CO)=C(C1CCCCCCCCC1)C1CCCCCCCCC1.
What is the InChIKey of cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate?
The InChIKey is PTNDYDPLUASWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60O3/c35-28-32(34(36)37-31-26-20-14-8-3-9-15-21-27-31)33(29-22-16-10-4-1-5-11-17-23-29)30-24-18-12-6-2-7-13-19-25-30/h29-31,35H,1-28H2.
What are the key properties of cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate?
cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate has a molecular weight of 516.85 g/mol, XLogP of 9.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate is sourced from PubChem (CID 22442315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).