[(4R)-4-acetyloxydecyl] acetate

C14H26O4 — CID 87160095

IUPAC[(4R)-4-acetyloxydecyl] acetate
SMILESCCCCCC[C@H](CCCOC(C)=O)OC(C)=O
InChIInChI=1S/C14H26O4/c1-4-5-6-7-9-14(18-13(3)16)10-8-11-17-12(2)15/h14H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyQNWAIPBTLWMCSB-CQSZACIVSA-N
MW258.36 g/mol
LogP3.23
Rot. Bonds10

About [(4R)-4-acetyloxydecyl] acetate

[(4R)-4-acetyloxydecyl] acetate (PubChem CID 87160095) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is [(4R)-4-acetyloxydecyl] acetate.

Molecular Properties

Compound Name[(4R)-4-acetyloxydecyl] acetate
PubChem CID87160095
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name[(4R)-4-acetyloxydecyl] acetate
SMILESCCCCCC[C@H](CCCOC(C)=O)OC(C)=O
InChIInChI=1S/C14H26O4/c1-4-5-6-7-9-14(18-13(3)16)10-8-11-17-12(2)15/h14H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyQNWAIPBTLWMCSB-CQSZACIVSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(9-acetyloxyoctadecanoyloxy)propyl 8-acetyloxyoctadecanoate
CID 166581991
3-(10-acetyloxyhexadecanoyloxy)propyl 14-acetyloxyicosanoate
CID 166582210
9-(10-acetyloxyoctadecanoyloxy)nonyl 9-acetyloxyoctadecanoate
CID 166582077
[2-acetyloxy-3-(3,8-diacetyloxydocosoxy)propyl] acetate
CID 175436595
icosan-9-yl 2,2-dimethylpropanoate;pentyl acetate
CID 157301449
16-hydroxyhexadecan-8-yl acetate
CID 175427631
[(4R)-1-iodopentadecan-4-yl] acetate
CID 10386040
[(3S)-nonan-3-yl] acetate
CID 76967958
4-chlorododecyl acetate
CID 527902
9-acetyloxyhexadecanoic acid
CID 134813994
9-acetyloxydocosanoic acid
CID 86038226
1-acetyloxyoctan-4-yl 2-methylprop-2-enoate
CID 87065567

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-acetyloxydecyl] acetate?
The IUPAC name of [(4R)-4-acetyloxydecyl] acetate (CID 87160095) is [(4R)-4-acetyloxydecyl] acetate.
What is the SMILES notation for [(4R)-4-acetyloxydecyl] acetate?
The canonical SMILES for [(4R)-4-acetyloxydecyl] acetate is CCCCCC[C@H](CCCOC(C)=O)OC(C)=O.
What is the InChIKey of [(4R)-4-acetyloxydecyl] acetate?
The InChIKey is QNWAIPBTLWMCSB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26O4/c1-4-5-6-7-9-14(18-13(3)16)10-8-11-17-12(2)15/h14H,4-11H2,1-3H3/t14-/m1/s1.
What are the key properties of [(4R)-4-acetyloxydecyl] acetate?
[(4R)-4-acetyloxydecyl] acetate has a molecular weight of 258.36 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-acetyloxydecyl] acetate is sourced from PubChem (CID 87160095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).