tert-butyl nonadecan-10-yl carbonate

C24H48O3 — CID 176728212

IUPACtert-butyl nonadecan-10-yl carbonate
SMILESCCCCCCCCCC(CCCCCCCCC)OC(=O)OC(C)(C)C
InChIInChI=1S/C24H48O3/c1-6-8-10-12-14-16-18-20-22(26-23(25)27-24(3,4)5)21-19-17-15-13-11-9-7-2/h22H,6-21H2,1-5H3
InChIKeyWSVPIKVHRDWCDR-UHFFFAOYSA-N
MW384.65 g/mol
LogP8.59
Rot. Bonds17

About tert-butyl nonadecan-10-yl carbonate

tert-butyl nonadecan-10-yl carbonate (PubChem CID 176728212) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is tert-butyl nonadecan-10-yl carbonate.

Molecular Properties

Compound Nametert-butyl nonadecan-10-yl carbonate
PubChem CID176728212
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Nametert-butyl nonadecan-10-yl carbonate
SMILESCCCCCCCCCC(CCCCCCCCC)OC(=O)OC(C)(C)C
InChIInChI=1S/C24H48O3/c1-6-8-10-12-14-16-18-20-22(26-23(25)27-24(3,4)5)21-19-17-15-13-11-9-7-2/h22H,6-21H2,1-5H3
InChIKeyWSVPIKVHRDWCDR-UHFFFAOYSA-N
XLogP8.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 58.59
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 decan-4-yl carbonate
CID 88667315
tert-butyl [(4R)-heptadec-1-en-4-yl] carbonate
CID 46834775
tert-butyl non-1-yn-3-yl carbonate
CID 101420781
bis(1-hydroxydecan-4-yl) carbonate
CID 170358619
8-O-tert-butyl 1-O-decan-4-yl octanedioate
CID 170657128
tert-butyl pentan-3-yl carbonate
CID 88907075
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
icosan-10-yl hydrogen carbonate
CID 151448549
hexacosan-8-yl hydrogen carbonate
CID 87300461

Frequently Asked Questions

What is the IUPAC name of tert-butyl nonadecan-10-yl carbonate?
The IUPAC name of tert-butyl nonadecan-10-yl carbonate (CID 176728212) is tert-butyl nonadecan-10-yl carbonate.
What is the SMILES notation for tert-butyl nonadecan-10-yl carbonate?
The canonical SMILES for tert-butyl nonadecan-10-yl carbonate is CCCCCCCCCC(CCCCCCCCC)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl nonadecan-10-yl carbonate?
The InChIKey is WSVPIKVHRDWCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-6-8-10-12-14-16-18-20-22(26-23(25)27-24(3,4)5)21-19-17-15-13-11-9-7-2/h22H,6-21H2,1-5H3.
What are the key properties of tert-butyl nonadecan-10-yl carbonate?
tert-butyl nonadecan-10-yl carbonate has a molecular weight of 384.65 g/mol, XLogP of 8.59, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl nonadecan-10-yl carbonate is sourced from PubChem (CID 176728212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).