[1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate

C20H32O4 — CID 23302102

IUPAC[1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(COC(=O)C=C)CCCCCCCCCCC1
InChIInChI=1S/C20H32O4/c1-3-18(21)23-16-20(17-24-19(22)4-2)14-12-10-8-6-5-7-9-11-13-15-20/h3-4H,1-2,5-17H2
InChIKeySLPIMUXEIVCZEY-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.74
Rot. Bonds6

About [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate

[1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate (PubChem CID 23302102) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate
PubChem CID23302102
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name[1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(COC(=O)C=C)CCCCCCCCCCC1
InChIInChI=1S/C20H32O4/c1-3-18(21)23-16-20(17-24-19(22)4-2)14-12-10-8-6-5-7-9-11-13-15-20/h3-4H,1-2,5-17H2
InChIKeySLPIMUXEIVCZEY-UHFFFAOYSA-N
XLogP4.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate?
The IUPAC name of [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate (CID 23302102) is [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate.
What is the SMILES notation for [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate?
The canonical SMILES for [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate is C=CC(=O)OCC1(COC(=O)C=C)CCCCCCCCCCC1.
What is the InChIKey of [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate?
The InChIKey is SLPIMUXEIVCZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-3-18(21)23-16-20(17-24-19(22)4-2)14-12-10-8-6-5-7-9-11-13-15-20/h3-4H,1-2,5-17H2.
What are the key properties of [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate?
[1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate has a molecular weight of 336.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(prop-2-enoyloxymethyl)cyclododecyl]methyl prop-2-enoate is sourced from PubChem (CID 23302102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).