bis(3-propoxypropyl) carbonate

C13H26O5 — CID 90300554

IUPACbis(3-propoxypropyl) carbonate
SMILESCCCOCCCOC(=O)OCCCOCCC
InChIInChI=1S/C13H26O5/c1-3-7-15-9-5-11-17-13(14)18-12-6-10-16-8-4-2/h3-12H2,1-2H3
InChIKeyTYIDFTRMPMILQH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.77
Rot. Bonds12

About bis(3-propoxypropyl) carbonate

bis(3-propoxypropyl) carbonate (PubChem CID 90300554) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is bis(3-propoxypropyl) carbonate.

Molecular Properties

Compound Namebis(3-propoxypropyl) carbonate
PubChem CID90300554
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Namebis(3-propoxypropyl) carbonate
SMILESCCCOCCCOC(=O)OCCCOCCC
InChIInChI=1S/C13H26O5/c1-3-7-15-9-5-11-17-13(14)18-12-6-10-16-8-4-2/h3-12H2,1-2H3
InChIKeyTYIDFTRMPMILQH-UHFFFAOYSA-N
XLogP2.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxypropyl butyl carbonate
CID 87247588
bis(3-propoxypropyl) hexanedioate
CID 174802487
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
ethyl 3-(2-methoxyethoxy)propyl carbonate
CID 87247585
butyl pentyl carbonate
CID 545576
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
magnesium;dibutyl carbonate;hydride
CID 174500135
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622

Frequently Asked Questions

What is the IUPAC name of bis(3-propoxypropyl) carbonate?
The IUPAC name of bis(3-propoxypropyl) carbonate (CID 90300554) is bis(3-propoxypropyl) carbonate.
What is the SMILES notation for bis(3-propoxypropyl) carbonate?
The canonical SMILES for bis(3-propoxypropyl) carbonate is CCCOCCCOC(=O)OCCCOCCC.
What is the InChIKey of bis(3-propoxypropyl) carbonate?
The InChIKey is TYIDFTRMPMILQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-3-7-15-9-5-11-17-13(14)18-12-6-10-16-8-4-2/h3-12H2,1-2H3.
What are the key properties of bis(3-propoxypropyl) carbonate?
bis(3-propoxypropyl) carbonate has a molecular weight of 262.35 g/mol, XLogP of 2.77, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-propoxypropyl) carbonate is sourced from PubChem (CID 90300554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).