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

C37H65NO4 — CID 67573511

IUPACcyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide
SMILESC=CC(N)=O.O=C(OC1CCCCCCCCC1)C(CO)=C(C1CCCCCCCCC1)C1CCCCCCCCC1
InChIInChI=1S/C34H60O3.C3H5NO/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;1-2-3(4)5/h29-31,35H,1-28H2;2H,1H2,(H2,4,5)
InChIKeyOEROWFCYOGJTNJ-UHFFFAOYSA-N
MW587.93 g/mol
LogP9.65
Rot. Bonds6

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

cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide (PubChem CID 67573511) has the molecular formula C37H65NO4 and a molecular weight of 587.93 g/mol. Its IUPAC name is cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide.

Molecular Properties

Compound Namecyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide
PubChem CID67573511
Molecular FormulaC37H65NO4
Molecular Weight587.93 g/mol
Exact Mass587.49
IUPAC Namecyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide
SMILESC=CC(N)=O.O=C(OC1CCCCCCCCC1)C(CO)=C(C1CCCCCCCCC1)C1CCCCCCCCC1
InChIInChI=1S/C34H60O3.C3H5NO/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;1-2-3(4)5/h29-31,35H,1-28H2;2H,1H2,(H2,4,5)
InChIKeyOEROWFCYOGJTNJ-UHFFFAOYSA-N
XLogP9.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.93
LogP ≤ 59.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
CID 22442315
cyclodecyl 3,3-di(cyclodecyl)-2-hydroxyprop-2-enoate;prop-2-enamide
CID 67573773
cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid
CID 174909348
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
cyclododecyl prop-2-enyl carbonate
CID 13272703
cyclohexyl prop-2-enyl carbonate
CID 14917718
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
cyclohexyl (E)-4-amino-4-oxobut-2-enoate
CID 132966691
2-O-carbamoyl 1-O-cyclohexyl oxalate
CID 174410162
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281

Frequently Asked Questions

What is the IUPAC name of cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide?
The IUPAC name of cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide (CID 67573511) is cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide.
What is the SMILES notation for cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide?
The canonical SMILES for cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide is C=CC(N)=O.O=C(OC1CCCCCCCCC1)C(CO)=C(C1CCCCCCCCC1)C1CCCCCCCCC1.
What is the InChIKey of cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide?
The InChIKey is OEROWFCYOGJTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60O3.C3H5NO/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;1-2-3(4)5/h29-31,35H,1-28H2;2H,1H2,(H2,4,5).
What are the key properties of cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide?
cyclodecyl 3,3-di(cyclodecyl)-2-(hydroxymethyl)prop-2-enoate;prop-2-enamide has a molecular weight of 587.93 g/mol, XLogP of 9.65, 6 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-(hydroxymethyl)prop-2-enoate;prop-2-enamide is sourced from PubChem (CID 67573511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).