tert-butyl decan-4-yl carbonate

C15H30O3 — CID 88667315

IUPACtert-butyl decan-4-yl carbonate
SMILESCCCCCCC(CCC)OC(=O)OC(C)(C)C
InChIInChI=1S/C15H30O3/c1-6-8-9-10-12-13(11-7-2)17-14(16)18-15(3,4)5/h13H,6-12H2,1-5H3
InChIKeyCSZXMVAJFLUFGL-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.08
Rot. Bonds8

About tert-butyl decan-4-yl carbonate

tert-butyl decan-4-yl carbonate (PubChem CID 88667315) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is tert-butyl decan-4-yl carbonate.

Molecular Properties

Compound Nametert-butyl decan-4-yl carbonate
PubChem CID88667315
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Nametert-butyl decan-4-yl carbonate
SMILESCCCCCCC(CCC)OC(=O)OC(C)(C)C
InChIInChI=1S/C15H30O3/c1-6-8-9-10-12-13(11-7-2)17-14(16)18-15(3,4)5/h13H,6-12H2,1-5H3
InChIKeyCSZXMVAJFLUFGL-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl nonadecan-10-yl carbonate
CID 176728212
tert-butyl [(4R)-heptadec-1-en-4-yl] carbonate
CID 46834775
8-O-tert-butyl 1-O-decan-4-yl octanedioate
CID 170657128
tert-butyl non-1-yn-3-yl carbonate
CID 101420781
nonadecan-4-yl hydrogen carbonate
CID 87300318
bis(1-hydroxydecan-4-yl) carbonate
CID 170358619
tert-butyl pentan-3-yl carbonate
CID 88907075
tert-butyl 2-propyldecanoate
CID 141018568
tert-butyl [(4R,5S)-4-methyltridec-2-yn-5-yl] carbonate
CID 10543010
hexadecan-8-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 134607308
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310

Frequently Asked Questions

What is the IUPAC name of tert-butyl decan-4-yl carbonate?
The IUPAC name of tert-butyl decan-4-yl carbonate (CID 88667315) is tert-butyl decan-4-yl carbonate.
What is the SMILES notation for tert-butyl decan-4-yl carbonate?
The canonical SMILES for tert-butyl decan-4-yl carbonate is CCCCCCC(CCC)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl decan-4-yl carbonate?
The InChIKey is CSZXMVAJFLUFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-6-8-9-10-12-13(11-7-2)17-14(16)18-15(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of tert-butyl decan-4-yl carbonate?
tert-butyl decan-4-yl carbonate has a molecular weight of 258.40 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl decan-4-yl carbonate is sourced from PubChem (CID 88667315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).