cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide

C36H63NO4 — CID 67573773

IUPACcyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide
SMILESC=CC(N)=O.O=C(OC1CCCCCCCCC1)C(O)=C(C1CCCCCCCCC1)C1CCCCCCCCC1
InChIInChI=1S/C33H58O3.C3H5NO/c34-32(33(35)36-30-26-20-14-8-3-9-15-21-27-30)31(28-22-16-10-4-1-5-11-17-23-28)29-24-18-12-6-2-7-13-19-25-29;1-2-3(4)5/h28-30,34H,1-27H2;2H,1H2,(H2,4,5)
InChIKeySGECQQHKGJLACS-UHFFFAOYSA-N
MW573.90 g/mol
LogP10.17
Rot. Bonds5

About cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide

cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide (PubChem CID 67573773) has the molecular formula C36H63NO4 and a molecular weight of 573.90 g/mol. Its IUPAC name is cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide.

Molecular Properties

Compound Namecyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide
PubChem CID67573773
Molecular FormulaC36H63NO4
Molecular Weight573.90 g/mol
Exact Mass573.48
IUPAC Namecyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide
SMILESC=CC(N)=O.O=C(OC1CCCCCCCCC1)C(O)=C(C1CCCCCCCCC1)C1CCCCCCCCC1
InChIInChI=1S/C33H58O3.C3H5NO/c34-32(33(35)36-30-26-20-14-8-3-9-15-21-27-30)31(28-22-16-10-4-1-5-11-17-23-28)29-24-18-12-6-2-7-13-19-25-29;1-2-3(4)5/h28-30,34H,1-27H2;2H,1H2,(H2,4,5)
InChIKeySGECQQHKGJLACS-UHFFFAOYSA-N
XLogP10.17
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.90
LogP ≤ 510.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide?
The IUPAC name of cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide (CID 67573773) is cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide.
What is the SMILES notation for cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide?
The canonical SMILES for cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide is C=CC(N)=O.O=C(OC1CCCCCCCCC1)C(O)=C(C1CCCCCCCCC1)C1CCCCCCCCC1.
What is the InChIKey of cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide?
The InChIKey is SGECQQHKGJLACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58O3.C3H5NO/c34-32(33(35)36-30-26-20-14-8-3-9-15-21-27-30)31(28-22-16-10-4-1-5-11-17-23-28)29-24-18-12-6-2-7-13-19-25-29;1-2-3(4)5/h28-30,34H,1-27H2;2H,1H2,(H2,4,5).
What are the key properties of cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide?
cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide has a molecular weight of 573.90 g/mol, XLogP of 10.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide is sourced from PubChem (CID 67573773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).