5-hydroxyhexan-2-yl decanoate

C16H32O3 — CID 170848666

IUPAC5-hydroxyhexan-2-yl decanoate
SMILESCCCCCCCCCC(=O)OC(C)CCC(C)O
InChIInChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-16(18)19-15(3)13-12-14(2)17/h14-15,17H,4-13H2,1-3H3
InChIKeyHCNHVPMIDWTDNY-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.22
Rot. Bonds12

About 5-hydroxyhexan-2-yl decanoate

5-hydroxyhexan-2-yl decanoate (PubChem CID 170848666) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-hydroxyhexan-2-yl decanoate.

Molecular Properties

Compound Name5-hydroxyhexan-2-yl decanoate
PubChem CID170848666
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name5-hydroxyhexan-2-yl decanoate
SMILESCCCCCCCCCC(=O)OC(C)CCC(C)O
InChIInChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-16(18)19-15(3)13-12-14(2)17/h14-15,17H,4-13H2,1-3H3
InChIKeyHCNHVPMIDWTDNY-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxyhexan-2-yl decanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptadecan-2-yl tetradecanoate
CID 54293612
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
pentan-2-yl tetradecanoate
CID 18676710
pentan-2-yl octadecanoate
CID 22644362
octatriacontan-2-yl dodecanoate
CID 174214599
CID 165051980
CID 165051980
4-hydroxybutan-2-yl octadecanoate
CID 71324433
dioctan-2-yl pentanedioate
CID 71404705
5-hydroxyhexan-2-yl 3-octyltridecanoate
CID 87784923
decan-2-yl tetradecanoate;bis(propane-1,2,3-triol)
CID 174472710

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyhexan-2-yl decanoate?
The IUPAC name of 5-hydroxyhexan-2-yl decanoate (CID 170848666) is 5-hydroxyhexan-2-yl decanoate.
What is the SMILES notation for 5-hydroxyhexan-2-yl decanoate?
The canonical SMILES for 5-hydroxyhexan-2-yl decanoate is CCCCCCCCCC(=O)OC(C)CCC(C)O.
What is the InChIKey of 5-hydroxyhexan-2-yl decanoate?
The InChIKey is HCNHVPMIDWTDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-16(18)19-15(3)13-12-14(2)17/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 5-hydroxyhexan-2-yl decanoate?
5-hydroxyhexan-2-yl decanoate has a molecular weight of 272.43 g/mol, XLogP of 4.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyhexan-2-yl decanoate is sourced from PubChem (CID 170848666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).