2-hydroxyethyl 2-propylhexanoate

C11H22O3 — CID 58491956

IUPAC2-hydroxyethyl 2-propylhexanoate
SMILESCCCCC(CCC)C(=O)OCCO
InChIInChI=1S/C11H22O3/c1-3-5-7-10(6-4-2)11(13)14-9-8-12/h10,12H,3-9H2,1-2H3
InChIKeyKAXYPGNIIRLVJF-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.13
Rot. Bonds8

About 2-hydroxyethyl 2-propylhexanoate

2-hydroxyethyl 2-propylhexanoate (PubChem CID 58491956) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-hydroxyethyl 2-propylhexanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-propylhexanoate
PubChem CID58491956
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-hydroxyethyl 2-propylhexanoate
SMILESCCCCC(CCC)C(=O)OCCO
InChIInChI=1S/C11H22O3/c1-3-5-7-10(6-4-2)11(13)14-9-8-12/h10,12H,3-9H2,1-2H3
InChIKeyKAXYPGNIIRLVJF-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-hydroxyethyl 2-ethylhexanoate
CID 10397600
butyl 2-butylhexanoate;stannane
CID 172996715
9-hydroxynonyl 2-hexyldecanoate
CID 118599831
propyl 2-propyldecanoate
CID 138561183
tetradecyl 2-butylhexanoate
CID 91318887
2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
CID 19879658
butyl 2-butyldocosanoate
CID 175080024
octyl 2-butyldocosanoate
CID 174740469
ethyl 2-(3-hydroxypropyl)octanoate
CID 57193425
hydroxymethyl 2-propyldodecanoate
CID 175526822
germane;pentyl 2-pentylheptanoate
CID 173457558
tridecyl 2-hexadecylicosanoate
CID 159510432

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-propylhexanoate?
The IUPAC name of 2-hydroxyethyl 2-propylhexanoate (CID 58491956) is 2-hydroxyethyl 2-propylhexanoate.
What is the SMILES notation for 2-hydroxyethyl 2-propylhexanoate?
The canonical SMILES for 2-hydroxyethyl 2-propylhexanoate is CCCCC(CCC)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-propylhexanoate?
The InChIKey is KAXYPGNIIRLVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-7-10(6-4-2)11(13)14-9-8-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2-propylhexanoate?
2-hydroxyethyl 2-propylhexanoate has a molecular weight of 202.29 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-propylhexanoate is sourced from PubChem (CID 58491956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).