ethyl 3-(1-hydroxyethyl)heptanoate

C11H22O3 — CID 154713788

IUPACethyl 3-(1-hydroxyethyl)heptanoate
SMILESCCCCC(CC(=O)OCC)C(C)O
InChIInChI=1S/C11H22O3/c1-4-6-7-10(9(3)12)8-11(13)14-5-2/h9-10,12H,4-8H2,1-3H3
InChIKeyDANPOPVMMUTWFO-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.13
Rot. Bonds7

About ethyl 3-(1-hydroxyethyl)heptanoate

ethyl 3-(1-hydroxyethyl)heptanoate (PubChem CID 154713788) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethyl 3-(1-hydroxyethyl)heptanoate.

Molecular Properties

Compound Nameethyl 3-(1-hydroxyethyl)heptanoate
PubChem CID154713788
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethyl 3-(1-hydroxyethyl)heptanoate
SMILESCCCCC(CC(=O)OCC)C(C)O
InChIInChI=1S/C11H22O3/c1-4-6-7-10(9(3)12)8-11(13)14-5-2/h9-10,12H,4-8H2,1-3H3
InChIKeyDANPOPVMMUTWFO-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-O-ethyl 1-O-hexan-2-yl 2-hydroxybutanedioate
CID 174961620
ethyl 3-dibutoxyphosphorylbutanoate
CID 172832682
ethyl 3-ethyl-2-methylheptanoate
CID 144913747
ethyl 4,5-dimethylnonanoate
CID 91431397
ethyl 4-hydroxy-3-propylhexanoate
CID 87356845
ethyl 3-butylnonanoate
CID 131636821
ethyl (5R)-5-hydroxynonanoate
CID 118890324
diethyl 2-octan-3-ylbutanedioate
CID 174947656
ethyl 2-methylhexanoate
CID 12714009
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
triethyl (2R)-2-propylpropane-1,1,3-tricarboxylate
CID 87520186
ethyl 3-(trifluoromethyl)heptanoate
CID 19890429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-hydroxyethyl)heptanoate?
The IUPAC name of ethyl 3-(1-hydroxyethyl)heptanoate (CID 154713788) is ethyl 3-(1-hydroxyethyl)heptanoate.
What is the SMILES notation for ethyl 3-(1-hydroxyethyl)heptanoate?
The canonical SMILES for ethyl 3-(1-hydroxyethyl)heptanoate is CCCCC(CC(=O)OCC)C(C)O.
What is the InChIKey of ethyl 3-(1-hydroxyethyl)heptanoate?
The InChIKey is DANPOPVMMUTWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-6-7-10(9(3)12)8-11(13)14-5-2/h9-10,12H,4-8H2,1-3H3.
What are the key properties of ethyl 3-(1-hydroxyethyl)heptanoate?
ethyl 3-(1-hydroxyethyl)heptanoate has a molecular weight of 202.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-hydroxyethyl)heptanoate is sourced from PubChem (CID 154713788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).