butyl pentyl carbonate

C10H20O3 — CID 545576

IUPACbutyl pentyl carbonate
SMILESCCCCCOC(=O)OCCCC
InChIInChI=1S/C10H20O3/c1-3-5-7-9-13-10(11)12-8-6-4-2/h3-9H2,1-2H3
InChIKeyFLIHROUXKOLBTC-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.13
Rot. Bonds7

About butyl pentyl carbonate

butyl pentyl carbonate (PubChem CID 545576) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is butyl pentyl carbonate.

Molecular Properties

Compound Namebutyl pentyl carbonate
PubChem CID545576
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namebutyl pentyl carbonate
SMILESCCCCCOC(=O)OCCCC
InChIInChI=1S/C10H20O3/c1-3-5-7-9-13-10(11)12-8-6-4-2/h3-9H2,1-2H3
InChIKeyFLIHROUXKOLBTC-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
magnesium;dibutyl carbonate;hydride
CID 174500135
ethyl tetradecyl carbonate
CID 6421505
ethyl heptadecyl carbonate
CID 6421524
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
2-hydroxyethyl nonyl carbonate
CID 87512716
hexyl 2-hydroxyethyl carbonate
CID 57493507

Frequently Asked Questions

What is the IUPAC name of butyl pentyl carbonate?
The IUPAC name of butyl pentyl carbonate (CID 545576) is butyl pentyl carbonate.
What is the SMILES notation for butyl pentyl carbonate?
The canonical SMILES for butyl pentyl carbonate is CCCCCOC(=O)OCCCC.
What is the InChIKey of butyl pentyl carbonate?
The InChIKey is FLIHROUXKOLBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-7-9-13-10(11)12-8-6-4-2/h3-9H2,1-2H3.
What are the key properties of butyl pentyl carbonate?
butyl pentyl carbonate has a molecular weight of 188.27 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl pentyl carbonate is sourced from PubChem (CID 545576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).