16-hydroxyhexadecan-8-yl acetate

C18H36O3 — CID 175427631

IUPAC16-hydroxyhexadecan-8-yl acetate
SMILESCCCCCCCC(CCCCCCCCO)OC(C)=O
InChIInChI=1S/C18H36O3/c1-3-4-5-8-11-14-18(21-17(2)20)15-12-9-6-7-10-13-16-19/h18-19H,3-16H2,1-2H3
InChIKeyVCMUNGHUCXVMEX-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.00
Rot. Bonds15

About 16-hydroxyhexadecan-8-yl acetate

16-hydroxyhexadecan-8-yl acetate (PubChem CID 175427631) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 16-hydroxyhexadecan-8-yl acetate.

Molecular Properties

Compound Name16-hydroxyhexadecan-8-yl acetate
PubChem CID175427631
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name16-hydroxyhexadecan-8-yl acetate
SMILESCCCCCCCC(CCCCCCCCO)OC(C)=O
InChIInChI=1S/C18H36O3/c1-3-4-5-8-11-14-18(21-17(2)20)15-12-9-6-7-10-13-16-19/h18-19H,3-16H2,1-2H3
InChIKeyVCMUNGHUCXVMEX-UHFFFAOYSA-N
XLogP5.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.00
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

8-hydroxyoctan-3-yl acetate
CID 101015615
[(4R)-1-iodopentadecan-4-yl] acetate
CID 10386040
[(3S)-nonan-3-yl] acetate
CID 76967958
18-hydroxyoctadec-9-en-7-yl acetate
CID 154089470
[(Z)-18-hydroxyoctadec-9-en-7-yl] acetate
CID 102090399
bis(1-hydroxydecan-4-yl) carbonate
CID 170358619
9-acetyloxyhexadecanoic acid
CID 134813994
9-acetyloxydocosanoic acid
CID 86038226
[(4R)-4-acetyloxydecyl] acetate
CID 87160095
[(Z)-1-hydroxytetradec-1-en-7-yl] acetate
CID 175011944
[(7S)-3-oxotridecan-7-yl] acetate
CID 100989517
1,1,1-trichlorotridecan-3-yl acetate
CID 101179539

Frequently Asked Questions

What is the IUPAC name of 16-hydroxyhexadecan-8-yl acetate?
The IUPAC name of 16-hydroxyhexadecan-8-yl acetate (CID 175427631) is 16-hydroxyhexadecan-8-yl acetate.
What is the SMILES notation for 16-hydroxyhexadecan-8-yl acetate?
The canonical SMILES for 16-hydroxyhexadecan-8-yl acetate is CCCCCCCC(CCCCCCCCO)OC(C)=O.
What is the InChIKey of 16-hydroxyhexadecan-8-yl acetate?
The InChIKey is VCMUNGHUCXVMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-3-4-5-8-11-14-18(21-17(2)20)15-12-9-6-7-10-13-16-19/h18-19H,3-16H2,1-2H3.
What are the key properties of 16-hydroxyhexadecan-8-yl acetate?
16-hydroxyhexadecan-8-yl acetate has a molecular weight of 300.48 g/mol, XLogP of 5.00, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxyhexadecan-8-yl acetate is sourced from PubChem (CID 175427631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).