cyclododecyl prop-2-enyl carbonate

C16H28O3 — CID 13272703

IUPACcyclododecyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C16H28O3/c1-2-14-18-16(17)19-15-12-10-8-6-4-3-5-7-9-11-13-15/h2,15H,1,3-14H2
InChIKeyRNGUNPMXQSJSEI-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.00
Rot. Bonds3

About cyclododecyl prop-2-enyl carbonate

cyclododecyl prop-2-enyl carbonate (PubChem CID 13272703) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is cyclododecyl prop-2-enyl carbonate.

Molecular Properties

Compound Namecyclododecyl prop-2-enyl carbonate
PubChem CID13272703
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Namecyclododecyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C16H28O3/c1-2-14-18-16(17)19-15-12-10-8-6-4-3-5-7-9-11-13-15/h2,15H,1,3-14H2
InChIKeyRNGUNPMXQSJSEI-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl prop-2-enyl carbonate
CID 14917718
(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate
CID 67366069
cyclohexyl hydroxymethyl carbonate
CID 54112347
dicyclononyl carbonate
CID 139618210
cycloheptyl iodomethyl carbonate
CID 86119288
prop-2-enyl cyclododecanecarboxylate
CID 139624721
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
2-cyclohexyloxycarbonylbut-3-enoic acid
CID 68511250
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate
CID 158060696
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829
bis(prop-2-enyl) carbonate;ethene
CID 87465968

Frequently Asked Questions

What is the IUPAC name of cyclododecyl prop-2-enyl carbonate?
The IUPAC name of cyclododecyl prop-2-enyl carbonate (CID 13272703) is cyclododecyl prop-2-enyl carbonate.
What is the SMILES notation for cyclododecyl prop-2-enyl carbonate?
The canonical SMILES for cyclododecyl prop-2-enyl carbonate is C=CCOC(=O)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl prop-2-enyl carbonate?
The InChIKey is RNGUNPMXQSJSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-14-18-16(17)19-15-12-10-8-6-4-3-5-7-9-11-13-15/h2,15H,1,3-14H2.
What are the key properties of cyclododecyl prop-2-enyl carbonate?
cyclododecyl prop-2-enyl carbonate has a molecular weight of 268.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl prop-2-enyl carbonate is sourced from PubChem (CID 13272703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).