bis(butoxycarbonyl) carbonate

C11H18O7 — CID 87650057

IUPACbis(butoxycarbonyl) carbonate
SMILESCCCCOC(=O)OC(=O)OC(=O)OCCCC
InChIInChI=1S/C11H18O7/c1-3-5-7-15-9(12)17-11(14)18-10(13)16-8-6-4-2/h3-8H2,1-2H3
InChIKeyWQRSQTBHHHCQLY-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.01
Rot. Bonds6

About bis(butoxycarbonyl) carbonate

bis(butoxycarbonyl) carbonate (PubChem CID 87650057) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is bis(butoxycarbonyl) carbonate.

Molecular Properties

Compound Namebis(butoxycarbonyl) carbonate
PubChem CID87650057
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Namebis(butoxycarbonyl) carbonate
SMILESCCCCOC(=O)OC(=O)OC(=O)OCCCC
InChIInChI=1S/C11H18O7/c1-3-5-7-15-9(12)17-11(14)18-10(13)16-8-6-4-2/h3-8H2,1-2H3
InChIKeyWQRSQTBHHHCQLY-UHFFFAOYSA-N
XLogP3.01
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

tetrakis(barium(2+));bis(butoxycarbonyl) carbonate;hydride
CID 174616136
hexoxycarbonyl hexyl carbonate
CID 18974231
carboxy hexoxycarbonyl carbonate
CID 174914086
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
magnesium;dibutyl carbonate;hydride
CID 174500135
butyl pentyl carbonate
CID 545576
carboxy pentyl carbonate
CID 53484270
3-butoxypropyl butyl carbonate
CID 87247588
carboxy tetradecyl carbonate
CID 140966805
heptyl octyl carbonate
CID 21498015
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395

Frequently Asked Questions

What is the IUPAC name of bis(butoxycarbonyl) carbonate?
The IUPAC name of bis(butoxycarbonyl) carbonate (CID 87650057) is bis(butoxycarbonyl) carbonate.
What is the SMILES notation for bis(butoxycarbonyl) carbonate?
The canonical SMILES for bis(butoxycarbonyl) carbonate is CCCCOC(=O)OC(=O)OC(=O)OCCCC.
What is the InChIKey of bis(butoxycarbonyl) carbonate?
The InChIKey is WQRSQTBHHHCQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-3-5-7-15-9(12)17-11(14)18-10(13)16-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of bis(butoxycarbonyl) carbonate?
bis(butoxycarbonyl) carbonate has a molecular weight of 262.26 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butoxycarbonyl) carbonate is sourced from PubChem (CID 87650057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).