cyclododecyl 2-methylprop-2-enoate;methane

C17H32O2 — CID 174824208

IUPACcyclododecyl 2-methylprop-2-enoate;methane
SMILESC.C=C(C)C(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C16H28O2.CH4/c1-14(2)16(17)18-15-12-10-8-6-4-3-5-7-9-11-13-15;/h15H,1,3-13H2,2H3;1H4
InChIKeyHZNUHYQTSMIITO-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds2

About cyclododecyl 2-methylprop-2-enoate;methane

cyclododecyl 2-methylprop-2-enoate;methane (PubChem CID 174824208) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is cyclododecyl 2-methylprop-2-enoate;methane.

Molecular Properties

Compound Namecyclododecyl 2-methylprop-2-enoate;methane
PubChem CID174824208
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Namecyclododecyl 2-methylprop-2-enoate;methane
SMILESC.C=C(C)C(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C16H28O2.CH4/c1-14(2)16(17)18-15-12-10-8-6-4-3-5-7-9-11-13-15;/h15H,1,3-13H2,2H3;1H4
InChIKeyHZNUHYQTSMIITO-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
bis(cyclohexyl 2-methylprop-2-enoate);terephthalic acid
CID 174502958
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclopentyl acetate;methyl 2-methylprop-2-enoate
CID 174985649
[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate
CID 140571076

Frequently Asked Questions

What is the IUPAC name of cyclododecyl 2-methylprop-2-enoate;methane?
The IUPAC name of cyclododecyl 2-methylprop-2-enoate;methane (CID 174824208) is cyclododecyl 2-methylprop-2-enoate;methane.
What is the SMILES notation for cyclododecyl 2-methylprop-2-enoate;methane?
The canonical SMILES for cyclododecyl 2-methylprop-2-enoate;methane is C.C=C(C)C(=O)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl 2-methylprop-2-enoate;methane?
The InChIKey is HZNUHYQTSMIITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2.CH4/c1-14(2)16(17)18-15-12-10-8-6-4-3-5-7-9-11-13-15;/h15H,1,3-13H2,2H3;1H4.
What are the key properties of cyclododecyl 2-methylprop-2-enoate;methane?
cyclododecyl 2-methylprop-2-enoate;methane has a molecular weight of 268.44 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl 2-methylprop-2-enoate;methane is sourced from PubChem (CID 174824208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).