cyclododecyl prop-2-enoate;prop-2-enoic acid

C18H30O4 — CID 162264812

IUPACcyclododecyl prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C15H26O2.C3H4O2/c1-2-15(16)17-14-12-10-8-6-4-3-5-7-9-11-13-14;1-2-3(4)5/h2,14H,1,3-13H2;2H,1H2,(H,4,5)
InChIKeyZZTHJDLJVUWSIM-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.65
Rot. Bonds3

About cyclododecyl prop-2-enoate;prop-2-enoic acid

cyclododecyl prop-2-enoate;prop-2-enoic acid (PubChem CID 162264812) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is cyclododecyl prop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Namecyclododecyl prop-2-enoate;prop-2-enoic acid
PubChem CID162264812
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Namecyclododecyl prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C15H26O2.C3H4O2/c1-2-15(16)17-14-12-10-8-6-4-3-5-7-9-11-13-14;1-2-3(4)5/h2,14H,1,3-13H2;2H,1H2,(H,4,5)
InChIKeyZZTHJDLJVUWSIM-UHFFFAOYSA-N
XLogP4.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.65
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

cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
CID 159294157
CID 159294157
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid
CID 174909348
[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate
CID 140571130
prop-2-eneperoxoic acid;prop-2-enoic acid
CID 18459501
cyclohexyl prop-2-enoate;octadec-9-enyl prop-2-enoate
CID 67765050
sodium;dicyclohexyl (Z)-but-2-enedioate;hydride
CID 174767941
cyclohexyl (Z)-3-hydroxybut-2-enoate
CID 54717694
2-(4-prop-2-enoyloxycyclohexyl)acetic acid
CID 138732597
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617

Frequently Asked Questions

What is the IUPAC name of cyclododecyl prop-2-enoate;prop-2-enoic acid?
The IUPAC name of cyclododecyl prop-2-enoate;prop-2-enoic acid (CID 162264812) is cyclododecyl prop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for cyclododecyl prop-2-enoate;prop-2-enoic acid?
The canonical SMILES for cyclododecyl prop-2-enoate;prop-2-enoic acid is C=CC(=O)O.C=CC(=O)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl prop-2-enoate;prop-2-enoic acid?
The InChIKey is ZZTHJDLJVUWSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2.C3H4O2/c1-2-15(16)17-14-12-10-8-6-4-3-5-7-9-11-13-14;1-2-3(4)5/h2,14H,1,3-13H2;2H,1H2,(H,4,5).
What are the key properties of cyclododecyl prop-2-enoate;prop-2-enoic acid?
cyclododecyl prop-2-enoate;prop-2-enoic acid has a molecular weight of 310.43 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl prop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 162264812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).