dicyclononyl carbonate

C19H34O3 — CID 139618210

IUPACdicyclononyl carbonate
SMILESO=C(OC1CCCCCCCC1)OC1CCCCCCCC1
InChIInChI=1S/C19H34O3/c20-19(21-17-13-9-5-1-2-6-10-14-17)22-18-15-11-7-3-4-8-12-16-18/h17-18H,1-16H2
InChIKeyIMQOAPBIJDRINE-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.15
Rot. Bonds2

About dicyclononyl carbonate

dicyclononyl carbonate (PubChem CID 139618210) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is dicyclononyl carbonate.

Molecular Properties

Compound Namedicyclononyl carbonate
PubChem CID139618210
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Namedicyclononyl carbonate
SMILESO=C(OC1CCCCCCCC1)OC1CCCCCCCC1
InChIInChI=1S/C19H34O3/c20-19(21-17-13-9-5-1-2-6-10-14-17)22-18-15-11-7-3-4-8-12-16-18/h17-18H,1-16H2
InChIKeyIMQOAPBIJDRINE-UHFFFAOYSA-N
XLogP6.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
cyclohexyl iodo carbonate
CID 139427010
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl hydroxymethyl carbonate
CID 54112347
tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
cycloheptyl hydrogen carbonate
CID 23179405
cycloheptyl iodomethyl carbonate
CID 86119288
cycloheptadecyl acetate
CID 57215828
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
azane;cyclohexyl hydrogen carbonate
CID 67723937

Frequently Asked Questions

What is the IUPAC name of dicyclononyl carbonate?
The IUPAC name of dicyclononyl carbonate (CID 139618210) is dicyclononyl carbonate.
What is the SMILES notation for dicyclononyl carbonate?
The canonical SMILES for dicyclononyl carbonate is O=C(OC1CCCCCCCC1)OC1CCCCCCCC1.
What is the InChIKey of dicyclononyl carbonate?
The InChIKey is IMQOAPBIJDRINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c20-19(21-17-13-9-5-1-2-6-10-14-17)22-18-15-11-7-3-4-8-12-16-18/h17-18H,1-16H2.
What are the key properties of dicyclononyl carbonate?
dicyclononyl carbonate has a molecular weight of 310.48 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclononyl carbonate is sourced from PubChem (CID 139618210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).