propyl 3-hydroxyhexanoate

C9H18O3 — CID 14915819

IUPACpropyl 3-hydroxyhexanoate
SMILESCCCOC(=O)CC(O)CCC
InChIInChI=1S/C9H18O3/c1-3-5-8(10)7-9(11)12-6-4-2/h8,10H,3-7H2,1-2H3
InChIKeyCWVLNJIMVHQEAU-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.49
Rot. Bonds6

About propyl 3-hydroxyhexanoate

propyl 3-hydroxyhexanoate (PubChem CID 14915819) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is propyl 3-hydroxyhexanoate.

Molecular Properties

Compound Namepropyl 3-hydroxyhexanoate
PubChem CID14915819
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namepropyl 3-hydroxyhexanoate
SMILESCCCOC(=O)CC(O)CCC
InChIInChI=1S/C9H18O3/c1-3-5-8(10)7-9(11)12-6-4-2/h8,10H,3-7H2,1-2H3
InChIKeyCWVLNJIMVHQEAU-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxyhexanoyloxy)pentanoic acid
CID 175180536
octadecyl 3-hydroxydocosanoate
CID 139650749
propyl 3-aminobutanoate
CID 43247954
dipropyl (2R)-2-hydroxypentanedioate
CID 101034397
dipropyl 2-hydroxypentanedioate
CID 141161532
propyl 6-cyano-3,5-dihydroxyhexanoate
CID 87986742
octadecyl 3,7-dihydroxyheptanoate
CID 174306119
2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate
CID 166706766
3-hydroxyhexanoic acid;methane
CID 175209406
propyl 3-propoxybutanoate
CID 175273522
propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate
CID 91698004
4-[3-(3-hydroxyheptanoyloxy)propanoyloxy]butanoic acid
CID 87325946

Frequently Asked Questions

What is the IUPAC name of propyl 3-hydroxyhexanoate?
The IUPAC name of propyl 3-hydroxyhexanoate (CID 14915819) is propyl 3-hydroxyhexanoate.
What is the SMILES notation for propyl 3-hydroxyhexanoate?
The canonical SMILES for propyl 3-hydroxyhexanoate is CCCOC(=O)CC(O)CCC.
What is the InChIKey of propyl 3-hydroxyhexanoate?
The InChIKey is CWVLNJIMVHQEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-5-8(10)7-9(11)12-6-4-2/h8,10H,3-7H2,1-2H3.
What are the key properties of propyl 3-hydroxyhexanoate?
propyl 3-hydroxyhexanoate has a molecular weight of 174.24 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-hydroxyhexanoate is sourced from PubChem (CID 14915819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).