3-ethoxybutan-1-ol

C6H14O2 — CID 5148119

IUPAC3-ethoxybutan-1-ol
SMILESCCOC(C)CCO
InChIInChI=1S/C6H14O2/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyUTVOVDXBOIGHTP-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds4

About 3-ethoxybutan-1-ol

3-ethoxybutan-1-ol (PubChem CID 5148119) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-ethoxybutan-1-ol.

Molecular Properties

Compound Name3-ethoxybutan-1-ol
PubChem CID5148119
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name3-ethoxybutan-1-ol
SMILESCCOC(C)CCO
InChIInChI=1S/C6H14O2/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyUTVOVDXBOIGHTP-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Butanediol
CID 7896
(-)-1,3-Butanediol
CID 637497
2,4-Pentanediol
CID 12262
(+)-1,3-Butanediol
CID 446973
3-Methoxy-1-butanol
CID 17291
Propylene glycol propyl ether
CID 61868
3-Butoxy-1-propanol
CID 82457
3-Ethoxy-1-propanol
CID 8109
1,2,3-Butanetriol
CID 20497
3-Ethoxy-1,2-propanediol
CID 94215
3-Butoxy-1,2-propanediol
CID 263027
3,3'-Dihydroxydibutyl ether
CID 92141

Frequently Asked Questions

What is the IUPAC name of 3-ethoxybutan-1-ol?
The IUPAC name of 3-ethoxybutan-1-ol (CID 5148119) is 3-ethoxybutan-1-ol.
What is the SMILES notation for 3-ethoxybutan-1-ol?
The canonical SMILES for 3-ethoxybutan-1-ol is CCOC(C)CCO.
What is the InChIKey of 3-ethoxybutan-1-ol?
The InChIKey is UTVOVDXBOIGHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethoxybutan-1-ol?
3-ethoxybutan-1-ol has a molecular weight of 118.18 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxybutan-1-ol is sourced from PubChem (CID 5148119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).