carboxy hexoxycarbonyl carbonate

C9H14O7 — CID 174914086

IUPACcarboxy hexoxycarbonyl carbonate
SMILESCCCCCCOC(=O)OC(=O)OC(=O)O
InChIInChI=1S/C9H14O7/c1-2-3-4-5-6-14-8(12)16-9(13)15-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyRZIBBZYBMFTGHL-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.53
Rot. Bonds5

About carboxy hexoxycarbonyl carbonate

carboxy hexoxycarbonyl carbonate (PubChem CID 174914086) has the molecular formula C9H14O7 and a molecular weight of 234.20 g/mol. Its IUPAC name is carboxy hexoxycarbonyl carbonate.

Molecular Properties

Compound Namecarboxy hexoxycarbonyl carbonate
PubChem CID174914086
Molecular FormulaC9H14O7
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Namecarboxy hexoxycarbonyl carbonate
SMILESCCCCCCOC(=O)OC(=O)OC(=O)O
InChIInChI=1S/C9H14O7/c1-2-3-4-5-6-14-8(12)16-9(13)15-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyRZIBBZYBMFTGHL-UHFFFAOYSA-N
XLogP2.53
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze carboxy hexoxycarbonyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carboxy tetradecyl carbonate
CID 140966805
carboxy pentyl carbonate
CID 53484270
hexoxycarbonyl hexyl carbonate
CID 18974231
bis(butoxycarbonyl) carbonate
CID 87650057
heptyl octyl carbonate
CID 21498015
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
dioctyl carbonate
CID 174882674
tetrakis(barium(2+));bis(butoxycarbonyl) carbonate;hydride
CID 174616136
azane;dioctyl carbonate
CID 174626203
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324

Frequently Asked Questions

What is the IUPAC name of carboxy hexoxycarbonyl carbonate?
The IUPAC name of carboxy hexoxycarbonyl carbonate (CID 174914086) is carboxy hexoxycarbonyl carbonate.
What is the SMILES notation for carboxy hexoxycarbonyl carbonate?
The canonical SMILES for carboxy hexoxycarbonyl carbonate is CCCCCCOC(=O)OC(=O)OC(=O)O.
What is the InChIKey of carboxy hexoxycarbonyl carbonate?
The InChIKey is RZIBBZYBMFTGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O7/c1-2-3-4-5-6-14-8(12)16-9(13)15-7(10)11/h2-6H2,1H3,(H,10,11).
What are the key properties of carboxy hexoxycarbonyl carbonate?
carboxy hexoxycarbonyl carbonate has a molecular weight of 234.20 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy hexoxycarbonyl carbonate is sourced from PubChem (CID 174914086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).