5-ethyl-3-hydroxynonan-2-one

C11H22O2 — CID 174582853

IUPAC5-ethyl-3-hydroxynonan-2-one
SMILESCCCCC(CC)CC(O)C(C)=O
InChIInChI=1S/C11H22O2/c1-4-6-7-10(5-2)8-11(13)9(3)12/h10-11,13H,4-8H2,1-3H3
InChIKeyIQIUVEXWMDVZEY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.54
Rot. Bonds7

About 5-ethyl-3-hydroxynonan-2-one

5-ethyl-3-hydroxynonan-2-one (PubChem CID 174582853) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-ethyl-3-hydroxynonan-2-one.

Molecular Properties

Compound Name5-ethyl-3-hydroxynonan-2-one
PubChem CID174582853
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-ethyl-3-hydroxynonan-2-one
SMILESCCCCC(CC)CC(O)C(C)=O
InChIInChI=1S/C11H22O2/c1-4-6-7-10(5-2)8-11(13)9(3)12/h10-11,13H,4-8H2,1-3H3
InChIKeyIQIUVEXWMDVZEY-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-ethyloctan-2-ol
CID 7015159
5-ethylnonane-2,3-diol
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(5S)-3,5-diethylnonane;methane
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2-butyl-4-ethyloctanoic acid;nickel
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3-hydroxydecan-2-one
CID 12524096
5,11-diethyl-8,8-dimethylpentadecane-7,9-diol
CID 140569222
5-ethyl-3-hydroxy-N,N-dimethylnonanamide
CID 175454513
tetrakis(4-ethyl-2-sulfanyloctanoate);tin(4+)
CID 158685009
2-chloro-4-ethyloctanamide
CID 151338743
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
4-ethyl-2-hexyloctanoic acid
CID 23205425

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-hydroxynonan-2-one?
The IUPAC name of 5-ethyl-3-hydroxynonan-2-one (CID 174582853) is 5-ethyl-3-hydroxynonan-2-one.
What is the SMILES notation for 5-ethyl-3-hydroxynonan-2-one?
The canonical SMILES for 5-ethyl-3-hydroxynonan-2-one is CCCCC(CC)CC(O)C(C)=O.
What is the InChIKey of 5-ethyl-3-hydroxynonan-2-one?
The InChIKey is IQIUVEXWMDVZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-7-10(5-2)8-11(13)9(3)12/h10-11,13H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-3-hydroxynonan-2-one?
5-ethyl-3-hydroxynonan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-hydroxynonan-2-one is sourced from PubChem (CID 174582853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).