butoxycarbonyl butyl carbonate

C10H18O5 — CID 14200314

IUPACbutoxycarbonyl butyl carbonate
SMILESCCCCOC(=O)OC(=O)OCCCC
InChIInChI=1S/C10H18O5/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2/h3-8H2,1-2H3
InChIKeyYAGCIXJCAUGCGI-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.88
Rot. Bonds6

About butoxycarbonyl butyl carbonate

butoxycarbonyl butyl carbonate (PubChem CID 14200314) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is butoxycarbonyl butyl carbonate.

Molecular Properties

Compound Namebutoxycarbonyl butyl carbonate
PubChem CID14200314
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namebutoxycarbonyl butyl carbonate
SMILESCCCCOC(=O)OC(=O)OCCCC
InChIInChI=1S/C10H18O5/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2/h3-8H2,1-2H3
InChIKeyYAGCIXJCAUGCGI-UHFFFAOYSA-N
XLogP2.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Dibutoxymethane
CID 17379
Carbonic acid, bis(2-methylpropyl) ester
CID 68321
Dibutyl peroxydicarbonate
CID 61830
Dipropyl peroxydicarbonate
CID 85264
Dibutyl carbonate
CID 68333
Tri-n-butyl orthoformate
CID 68521
1,1,1-Triethoxybutane
CID 371779
Butyl diglycol carbonate
CID 251329
Carbonic acid, butyl ethyl ester
CID 61880
Diisopentyl carbonate
CID 74913
Dipentyl carbonate
CID 222266
Tetrapropoxymethane
CID 548455

Frequently Asked Questions

What is the IUPAC name of butoxycarbonyl butyl carbonate?
The IUPAC name of butoxycarbonyl butyl carbonate (CID 14200314) is butoxycarbonyl butyl carbonate.
What is the SMILES notation for butoxycarbonyl butyl carbonate?
The canonical SMILES for butoxycarbonyl butyl carbonate is CCCCOC(=O)OC(=O)OCCCC.
What is the InChIKey of butoxycarbonyl butyl carbonate?
The InChIKey is YAGCIXJCAUGCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of butoxycarbonyl butyl carbonate?
butoxycarbonyl butyl carbonate has a molecular weight of 218.25 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butoxycarbonyl butyl carbonate is sourced from PubChem (CID 14200314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).