10-hydroxydecan-2-yl propanoate

C13H26O3 — CID 123501061

IUPAC10-hydroxydecan-2-yl propanoate
SMILESCCC(=O)OC(C)CCCCCCCCO
InChIInChI=1S/C13H26O3/c1-3-13(15)16-12(2)10-8-6-4-5-7-9-11-14/h12,14H,3-11H2,1-2H3
InChIKeyHNJHCTXFAVXGNY-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.05
Rot. Bonds10

About 10-hydroxydecan-2-yl propanoate

10-hydroxydecan-2-yl propanoate (PubChem CID 123501061) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 10-hydroxydecan-2-yl propanoate.

Molecular Properties

Compound Name10-hydroxydecan-2-yl propanoate
PubChem CID123501061
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name10-hydroxydecan-2-yl propanoate
SMILESCCC(=O)OC(C)CCCCCCCCO
InChIInChI=1S/C13H26O3/c1-3-13(15)16-12(2)10-8-6-4-5-7-9-11-14/h12,14H,3-11H2,1-2H3
InChIKeyHNJHCTXFAVXGNY-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-dodecan-2-yl] propanoate
CID 162853259
hexadecan-2-yl propanoate
CID 154494346
bis(6-hydroxyhexan-2-yl) hexanedioate
CID 57127239
hexan-2-yl propanoate
CID 54289868
[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
6-hydroxyhexan-2-yl acetate
CID 15812148
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
dioctan-2-yl pentanedioate
CID 71404705
nonan-2-yl butanoate
CID 551252

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydecan-2-yl propanoate?
The IUPAC name of 10-hydroxydecan-2-yl propanoate (CID 123501061) is 10-hydroxydecan-2-yl propanoate.
What is the SMILES notation for 10-hydroxydecan-2-yl propanoate?
The canonical SMILES for 10-hydroxydecan-2-yl propanoate is CCC(=O)OC(C)CCCCCCCCO.
What is the InChIKey of 10-hydroxydecan-2-yl propanoate?
The InChIKey is HNJHCTXFAVXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-13(15)16-12(2)10-8-6-4-5-7-9-11-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 10-hydroxydecan-2-yl propanoate?
10-hydroxydecan-2-yl propanoate has a molecular weight of 230.35 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydecan-2-yl propanoate is sourced from PubChem (CID 123501061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).