1-ethoxypentan-2-ol

C7H16O2 — CID 21201051

IUPAC1-ethoxypentan-2-ol
SMILESCCCC(O)COCC
InChIInChI=1S/C7H16O2/c1-3-5-7(8)6-9-4-2/h7-8H,3-6H2,1-2H3
InChIKeyLLZLUUBNRJXYED-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds5

About 1-ethoxypentan-2-ol

1-ethoxypentan-2-ol (PubChem CID 21201051) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-ethoxypentan-2-ol.

Molecular Properties

Compound Name1-ethoxypentan-2-ol
PubChem CID21201051
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-ethoxypentan-2-ol
SMILESCCCC(O)COCC
InChIInChI=1S/C7H16O2/c1-3-5-7(8)6-9-4-2/h7-8H,3-6H2,1-2H3
InChIKeyLLZLUUBNRJXYED-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-4-propoxybutan-2-ol
CID 105111761
1-ethoxy-4-methylsulfanylbutan-2-ol
CID 79566710
1-ethoxy-5-methoxypentan-2-ol
CID 79566643
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
ethoxyethane;(2S)-pentan-2-ol
CID 157362053
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-ethoxy-3-propylsulfanylpropan-2-ol
CID 63932362
1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853
1-(3-bromo-2-hydroxypropoxy)-3-ethoxypropan-2-ol
CID 148545337

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypentan-2-ol?
The IUPAC name of 1-ethoxypentan-2-ol (CID 21201051) is 1-ethoxypentan-2-ol.
What is the SMILES notation for 1-ethoxypentan-2-ol?
The canonical SMILES for 1-ethoxypentan-2-ol is CCCC(O)COCC.
What is the InChIKey of 1-ethoxypentan-2-ol?
The InChIKey is LLZLUUBNRJXYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-5-7(8)6-9-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethoxypentan-2-ol?
1-ethoxypentan-2-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypentan-2-ol is sourced from PubChem (CID 21201051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).