butan-1-ol;ethyl propanoate

C9H20O3 — CID 157384460

IUPACbutan-1-ol;ethyl propanoate
SMILESCCCCO.CCOC(=O)CC
InChIInChI=1S/C5H10O2.C4H10O/c1-3-5(6)7-4-2;1-2-3-4-5/h3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyBLGNSEGOLDDMRG-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.74
Rot. Bonds4

About butan-1-ol;ethyl propanoate

butan-1-ol;ethyl propanoate (PubChem CID 157384460) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is butan-1-ol;ethyl propanoate.

Molecular Properties

Compound Namebutan-1-ol;ethyl propanoate
PubChem CID157384460
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Namebutan-1-ol;ethyl propanoate
SMILESCCCCO.CCOC(=O)CC
InChIInChI=1S/C5H10O2.C4H10O/c1-3-5(6)7-4-2;1-2-3-4-5/h3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyBLGNSEGOLDDMRG-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butan-1-ol;ethyl butanoate;methane
CID 159268978
2-hydroxyethyl propanoate;pentan-1-ol
CID 174862419
ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
dodecan-1-ol;ethyl 2-hydroxyacetate
CID 159384320
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;tin(2+);dichloride
CID 171374953
butan-1-ol;ethyl acetate;hydrate
CID 19878091
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
ethyl octadecanoate;octadecan-1-ol
CID 167711547
ethyl butanoate;ethyl propanoate
CID 159309203

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethyl propanoate?
The IUPAC name of butan-1-ol;ethyl propanoate (CID 157384460) is butan-1-ol;ethyl propanoate.
What is the SMILES notation for butan-1-ol;ethyl propanoate?
The canonical SMILES for butan-1-ol;ethyl propanoate is CCCCO.CCOC(=O)CC.
What is the InChIKey of butan-1-ol;ethyl propanoate?
The InChIKey is BLGNSEGOLDDMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H10O/c1-3-5(6)7-4-2;1-2-3-4-5/h3-4H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;ethyl propanoate?
butan-1-ol;ethyl propanoate has a molecular weight of 176.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethyl propanoate is sourced from PubChem (CID 157384460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).