3-butoxypropyl butyl carbonate

C12H24O4 — CID 87247588

IUPAC3-butoxypropyl butyl carbonate
SMILESCCCCOCCCOC(=O)OCCCC
InChIInChI=1S/C12H24O4/c1-3-5-8-14-9-7-11-16-12(13)15-10-6-4-2/h3-11H2,1-2H3
InChIKeyUOBXIYBHTYTVKI-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.15
Rot. Bonds10

About 3-butoxypropyl butyl carbonate

3-butoxypropyl butyl carbonate (PubChem CID 87247588) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-butoxypropyl butyl carbonate.

Molecular Properties

Compound Name3-butoxypropyl butyl carbonate
PubChem CID87247588
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name3-butoxypropyl butyl carbonate
SMILESCCCCOCCCOC(=O)OCCCC
InChIInChI=1S/C12H24O4/c1-3-5-8-14-9-7-11-16-12(13)15-10-6-4-2/h3-11H2,1-2H3
InChIKeyUOBXIYBHTYTVKI-UHFFFAOYSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-propoxypropyl) carbonate
CID 90300554
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
magnesium;dibutyl carbonate;hydride
CID 174500135
butyl pentyl carbonate
CID 545576
butyl 3-methoxypropyl carbonate
CID 87247582
3-butoxypropyl carbonochloridate
CID 139806426
3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propyl 4-[4-[3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propoxy]-4-oxobutoxy]butanoate
CID 139796293
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395

Frequently Asked Questions

What is the IUPAC name of 3-butoxypropyl butyl carbonate?
The IUPAC name of 3-butoxypropyl butyl carbonate (CID 87247588) is 3-butoxypropyl butyl carbonate.
What is the SMILES notation for 3-butoxypropyl butyl carbonate?
The canonical SMILES for 3-butoxypropyl butyl carbonate is CCCCOCCCOC(=O)OCCCC.
What is the InChIKey of 3-butoxypropyl butyl carbonate?
The InChIKey is UOBXIYBHTYTVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-3-5-8-14-9-7-11-16-12(13)15-10-6-4-2/h3-11H2,1-2H3.
What are the key properties of 3-butoxypropyl butyl carbonate?
3-butoxypropyl butyl carbonate has a molecular weight of 232.32 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypropyl butyl carbonate is sourced from PubChem (CID 87247588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).