carboxyoxy dodecyl carbonate

C14H26O6 — CID 89262401

IUPACcarboxyoxy dodecyl carbonate
SMILESCCCCCCCCCCCCOC(=O)OOC(=O)O
InChIInChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-9-10-11-12-18-14(17)20-19-13(15)16/h2-12H2,1H3,(H,15,16)
InChIKeySYYUTBXIBOGMAW-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.67
Rot. Bonds11

About carboxyoxy dodecyl carbonate

carboxyoxy dodecyl carbonate (PubChem CID 89262401) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is carboxyoxy dodecyl carbonate.

Molecular Properties

Compound Namecarboxyoxy dodecyl carbonate
PubChem CID89262401
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namecarboxyoxy dodecyl carbonate
SMILESCCCCCCCCCCCCOC(=O)OOC(=O)O
InChIInChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-9-10-11-12-18-14(17)20-19-13(15)16/h2-12H2,1H3,(H,15,16)
InChIKeySYYUTBXIBOGMAW-UHFFFAOYSA-N
XLogP4.67
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
carboxy tetradecyl carbonate
CID 140966805
heptaheptacontyl hydrogen carbonate
CID 162768324
triheptacontyl hydrogen carbonate
CID 142754463
azane;dioctyl carbonate
CID 174626203
carboxy pentyl carbonate
CID 53484270
hexoxycarbonyl hexyl carbonate
CID 18974231
azane;nonyl hydrogen carbonate
CID 175306231
carboxy hexoxycarbonyl carbonate
CID 174914086

Frequently Asked Questions

What is the IUPAC name of carboxyoxy dodecyl carbonate?
The IUPAC name of carboxyoxy dodecyl carbonate (CID 89262401) is carboxyoxy dodecyl carbonate.
What is the SMILES notation for carboxyoxy dodecyl carbonate?
The canonical SMILES for carboxyoxy dodecyl carbonate is CCCCCCCCCCCCOC(=O)OOC(=O)O.
What is the InChIKey of carboxyoxy dodecyl carbonate?
The InChIKey is SYYUTBXIBOGMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-9-10-11-12-18-14(17)20-19-13(15)16/h2-12H2,1H3,(H,15,16).
What are the key properties of carboxyoxy dodecyl carbonate?
carboxyoxy dodecyl carbonate has a molecular weight of 290.36 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carboxyoxy dodecyl carbonate is sourced from PubChem (CID 89262401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).