bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate

C43H78O6 — CID 67375105

IUPACbis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate
SMILESC1CCCCCCCCC1.C1CCCCCCCCC1.C=C(C)C(=O)OCC1(COCC(CO)OC(=O)C(=C)C)CCCCCCCCC1
InChIInChI=1S/C23H38O6.2C10H20/c1-18(2)21(25)28-17-23(12-10-8-6-5-7-9-11-13-23)16-27-15-20(14-24)29-22(26)19(3)4;2*1-2-4-6-8-10-9-7-5-3-1/h20,24H,1,3,5-17H2,2,4H3;2*1-10H2
InChIKeyBWOBIGROSJGAPJ-UHFFFAOYSA-N
MW691.09 g/mol
LogP11.92
Rot. Bonds10

About bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate

bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate (PubChem CID 67375105) has the molecular formula C43H78O6 and a molecular weight of 691.09 g/mol. Its IUPAC name is bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate
PubChem CID67375105
Molecular FormulaC43H78O6
Molecular Weight691.09 g/mol
Exact Mass690.58
IUPAC Namebis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate
SMILESC1CCCCCCCCC1.C1CCCCCCCCC1.C=C(C)C(=O)OCC1(COCC(CO)OC(=O)C(=C)C)CCCCCCCCC1
InChIInChI=1S/C23H38O6.2C10H20/c1-18(2)21(25)28-17-23(12-10-8-6-5-7-9-11-13-23)16-27-15-20(14-24)29-22(26)19(3)4;2*1-2-4-6-8-10-9-7-5-3-1/h20,24H,1,3,5-17H2,2,4H3;2*1-10H2
InChIKeyBWOBIGROSJGAPJ-UHFFFAOYSA-N
XLogP11.92
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.09
LogP ≤ 511.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate
CID 22712620
2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
CID 66606377
[1-hydroxy-3-(3-methylsulfanylpropoxy)propan-2-yl] 2-methylprop-2-enoate
CID 89274817
[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729
(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
CID 22259480
[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyloxy]-3-hydroxypropyl] 2-methylprop-2-enoate
CID 164782011
[4,4,5,5-tetrafluoro-2,8-dihydroxy-7-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate
CID 21187250
butane-1,4-diol;2-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 122641854
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547

Frequently Asked Questions

What is the IUPAC name of bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate?
The IUPAC name of bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate (CID 67375105) is bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate is C1CCCCCCCCC1.C1CCCCCCCCC1.C=C(C)C(=O)OCC1(COCC(CO)OC(=O)C(=C)C)CCCCCCCCC1.
What is the InChIKey of bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate?
The InChIKey is BWOBIGROSJGAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O6.2C10H20/c1-18(2)21(25)28-17-23(12-10-8-6-5-7-9-11-13-23)16-27-15-20(14-24)29-22(26)19(3)4;2*1-2-4-6-8-10-9-7-5-3-1/h20,24H,1,3,5-17H2,2,4H3;2*1-10H2.
What are the key properties of bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate?
bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate has a molecular weight of 691.09 g/mol, XLogP of 11.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclodecane);[1-[[3-hydroxy-2-(2-methylprop-2-enoyloxy)propoxy]methyl]cyclodecyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 67375105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).