[(6R)-6-(4-methylphenyl)heptan-2-yl] acetate

C16H24O2 — CID 146683372

IUPAC[(6R)-6-(4-methylphenyl)heptan-2-yl] acetate
SMILESCC(=O)OC(C)CCC[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C16H24O2/c1-12-8-10-16(11-9-12)13(2)6-5-7-14(3)18-15(4)17/h8-11,13-14H,5-7H2,1-4H3/t13-,14?/m1/s1
InChIKeyZHIGICKDMCKMQA-KWCCSABGSA-N
MW248.37 g/mol
LogP4.22
Rot. Bonds6

About [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate

[(6R)-6-(4-methylphenyl)heptan-2-yl] acetate (PubChem CID 146683372) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate.

Molecular Properties

Compound Name[(6R)-6-(4-methylphenyl)heptan-2-yl] acetate
PubChem CID146683372
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[(6R)-6-(4-methylphenyl)heptan-2-yl] acetate
SMILESCC(=O)OC(C)CCC[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C16H24O2/c1-12-8-10-16(11-9-12)13(2)6-5-7-14(3)18-15(4)17/h8-11,13-14H,5-7H2,1-4H3/t13-,14?/m1/s1
InChIKeyZHIGICKDMCKMQA-KWCCSABGSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate?
The IUPAC name of [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate (CID 146683372) is [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate.
What is the SMILES notation for [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate?
The canonical SMILES for [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate is CC(=O)OC(C)CCC[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate?
The InChIKey is ZHIGICKDMCKMQA-KWCCSABGSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-8-10-16(11-9-12)13(2)6-5-7-14(3)18-15(4)17/h8-11,13-14H,5-7H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate?
[(6R)-6-(4-methylphenyl)heptan-2-yl] acetate has a molecular weight of 248.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(4-methylphenyl)heptan-2-yl] acetate is sourced from PubChem (CID 146683372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).