[(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate

C20H36O4 — CID 11186868

IUPAC[(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate
SMILESCCCCC[C@H](C#CCCCCCCCCOCOC)OC(C)=O
InChIInChI=1S/C20H36O4/c1-4-5-12-15-20(24-19(2)21)16-13-10-8-6-7-9-11-14-17-23-18-22-3/h20H,4-12,14-15,17-18H2,1-3H3/t20-/m1/s1
InChIKeyPITJOIBZUHIEMF-HXUWFJFHSA-N
MW340.50 g/mol
LogP4.85
Rot. Bonds15

About [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate

[(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate (PubChem CID 11186868) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate.

Molecular Properties

Compound Name[(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate
PubChem CID11186868
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name[(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate
SMILESCCCCC[C@H](C#CCCCCCCCCOCOC)OC(C)=O
InChIInChI=1S/C20H36O4/c1-4-5-12-15-20(24-19(2)21)16-13-10-8-6-7-9-11-14-17-23-18-22-3/h20H,4-12,14-15,17-18H2,1-3H3/t20-/m1/s1
InChIKeyPITJOIBZUHIEMF-HXUWFJFHSA-N
XLogP4.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(6R)-1-(methoxymethoxy)dodec-4-yn-6-ol
CID 10657813
methyl (6R)-6-acetyloxyoctadeca-7,9-diynoate
CID 134977491
1-(diethylamino)non-2-yn-4-yl acetate
CID 21317526
7-acetyloxydec-5-ynoic acid
CID 119092908
[(4R)-1-phenylmethoxynon-2-yn-4-yl] acetate
CID 22800251
1-acetyloxytetradecyl acetate
CID 88785738
(1-amino-3-octoxypropyl) acetate
CID 20976940
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
hexadecyl 2-acetyloxyhexadecanoate
CID 12071370
1,1,1-trimethoxydecan-2-yl acetate
CID 151973856
ethyl 2-[(13R)-13-hydroxyheptadec-11-ynoxy]acetate
CID 87985186

Frequently Asked Questions

What is the IUPAC name of [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate?
The IUPAC name of [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate (CID 11186868) is [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate.
What is the SMILES notation for [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate?
The canonical SMILES for [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate is CCCCC[C@H](C#CCCCCCCCCOCOC)OC(C)=O.
What is the InChIKey of [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate?
The InChIKey is PITJOIBZUHIEMF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H36O4/c1-4-5-12-15-20(24-19(2)21)16-13-10-8-6-7-9-11-14-17-23-18-22-3/h20H,4-12,14-15,17-18H2,1-3H3/t20-/m1/s1.
What are the key properties of [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate?
[(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate has a molecular weight of 340.50 g/mol, XLogP of 4.85, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate is sourced from PubChem (CID 11186868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).