carboxy tetradecyl carbonate

C16H30O5 — CID 140966805

IUPACcarboxy tetradecyl carbonate
SMILESCCCCCCCCCCCCCCOC(=O)OC(=O)O
InChIInChI=1S/C16H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)21-15(17)18/h2-14H2,1H3,(H,17,18)
InChIKeyJTNYWZDTXHPKFS-UHFFFAOYSA-N
MW302.41 g/mol
LogP5.52
Rot. Bonds13

About carboxy tetradecyl carbonate

carboxy tetradecyl carbonate (PubChem CID 140966805) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is carboxy tetradecyl carbonate.

Molecular Properties

Compound Namecarboxy tetradecyl carbonate
PubChem CID140966805
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Namecarboxy tetradecyl carbonate
SMILESCCCCCCCCCCCCCCOC(=O)OC(=O)O
InChIInChI=1S/C16H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)21-15(17)18/h2-14H2,1H3,(H,17,18)
InChIKeyJTNYWZDTXHPKFS-UHFFFAOYSA-N
XLogP5.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carboxy pentyl carbonate
CID 53484270
carboxy hexoxycarbonyl carbonate
CID 174914086
hexoxycarbonyl hexyl carbonate
CID 18974231
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
heptaheptacontyl hydrogen carbonate
CID 162768324
azane;dioctyl carbonate
CID 174626203
triheptacontyl hydrogen carbonate
CID 142754463
carboxyoxy dodecyl carbonate
CID 89262401
azane;nonyl hydrogen carbonate
CID 175306231

Frequently Asked Questions

What is the IUPAC name of carboxy tetradecyl carbonate?
The IUPAC name of carboxy tetradecyl carbonate (CID 140966805) is carboxy tetradecyl carbonate.
What is the SMILES notation for carboxy tetradecyl carbonate?
The canonical SMILES for carboxy tetradecyl carbonate is CCCCCCCCCCCCCCOC(=O)OC(=O)O.
What is the InChIKey of carboxy tetradecyl carbonate?
The InChIKey is JTNYWZDTXHPKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)21-15(17)18/h2-14H2,1H3,(H,17,18).
What are the key properties of carboxy tetradecyl carbonate?
carboxy tetradecyl carbonate has a molecular weight of 302.41 g/mol, XLogP of 5.52, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy tetradecyl carbonate is sourced from PubChem (CID 140966805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).