methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate

C16H24O3 — CID 19864962

IUPACmethyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate
SMILESCOC(=O)CCCC(C)(C)c1cc(C)cc(C)c1O
InChIInChI=1S/C16H24O3/c1-11-9-12(2)15(18)13(10-11)16(3,4)8-6-7-14(17)19-5/h9-10,18H,6-8H2,1-5H3
InChIKeyMVPXLZQYNIIGTF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds5

About methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate

methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate (PubChem CID 19864962) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate.

Molecular Properties

Compound Namemethyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate
PubChem CID19864962
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namemethyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate
SMILESCOC(=O)CCCC(C)(C)c1cc(C)cc(C)c1O
InChIInChI=1S/C16H24O3/c1-11-9-12(2)15(18)13(10-11)16(3,4)8-6-7-14(17)19-5/h9-10,18H,6-8H2,1-5H3
InChIKeyMVPXLZQYNIIGTF-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 31404
CID 31404
CID 64819
CID 64819
CID 20087
CID 20087
CID 6929
CID 6929
CID 73219
CID 73219
CID 8455
CID 8455
CID 86583
CID 86583
CID 88389
CID 88389
CID 79717
CID 79717
CID 12902
CID 12902
CID 67174
CID 67174
CID 16386
CID 16386

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate?
The IUPAC name of methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate (CID 19864962) is methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate.
What is the SMILES notation for methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate?
The canonical SMILES for methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate is COC(=O)CCCC(C)(C)c1cc(C)cc(C)c1O.
What is the InChIKey of methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate?
The InChIKey is MVPXLZQYNIIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-9-12(2)15(18)13(10-11)16(3,4)8-6-7-14(17)19-5/h9-10,18H,6-8H2,1-5H3.
What are the key properties of methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate?
methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate has a molecular weight of 264.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate is sourced from PubChem (CID 19864962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).