nonan-4-yl phenyl carbonate

C16H24O3 — CID 152553263

IUPACnonan-4-yl phenyl carbonate
SMILESCCCCCC(CCC)OC(=O)Oc1ccccc1
InChIInChI=1S/C16H24O3/c1-3-5-7-11-14(10-4-2)18-16(17)19-15-12-8-6-9-13-15/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3
InChIKeyYNYAYCPWZIVVGL-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.95
Rot. Bonds8

About nonan-4-yl phenyl carbonate

nonan-4-yl phenyl carbonate (PubChem CID 152553263) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is nonan-4-yl phenyl carbonate.

Molecular Properties

Compound Namenonan-4-yl phenyl carbonate
PubChem CID152553263
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namenonan-4-yl phenyl carbonate
SMILESCCCCCC(CCC)OC(=O)Oc1ccccc1
InChIInChI=1S/C16H24O3/c1-3-5-7-11-14(10-4-2)18-16(17)19-15-12-8-6-9-13-15/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3
InChIKeyYNYAYCPWZIVVGL-UHFFFAOYSA-N
XLogP4.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decan-4-yl benzoate
CID 13141769
henicosan-11-yl (4-nitrophenyl) carbonate
CID 177314956
(4-nitrophenyl) tetratriacontan-17-yl carbonate
CID 58391317
10-(4-nitrophenoxy)carbonyloxy-2-octylhexadecanoic acid
CID 172728167
tetradecan-4-yl 3-phenylpropanoate
CID 591386
[11-(2-hexyldecanoyloxy)-6-(4-hydroxyphenoxy)carbonyloxyundecyl] 2-hexyldecanoate
CID 164938714
undecan-6-yloxybenzene
CID 130316504
nonadecan-4-yl hydrogen carbonate
CID 87300318
ditetratriacontan-9-yl benzene-1,2-dicarboxylate
CID 174790741
ditricosan-12-yl benzene-1,2-dicarboxylate
CID 66936794
dinonahectan-9-yl benzene-1,2-dicarboxylate
CID 139762193
butyl 4-(4-nitrophenoxy)carbonyloxydodecanoate
CID 164737802

Frequently Asked Questions

What is the IUPAC name of nonan-4-yl phenyl carbonate?
The IUPAC name of nonan-4-yl phenyl carbonate (CID 152553263) is nonan-4-yl phenyl carbonate.
What is the SMILES notation for nonan-4-yl phenyl carbonate?
The canonical SMILES for nonan-4-yl phenyl carbonate is CCCCCC(CCC)OC(=O)Oc1ccccc1.
What is the InChIKey of nonan-4-yl phenyl carbonate?
The InChIKey is YNYAYCPWZIVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-7-11-14(10-4-2)18-16(17)19-15-12-8-6-9-13-15/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3.
What are the key properties of nonan-4-yl phenyl carbonate?
nonan-4-yl phenyl carbonate has a molecular weight of 264.37 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-4-yl phenyl carbonate is sourced from PubChem (CID 152553263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).