methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate

C11H22O3 — CID 62397567

IUPACmethyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
SMILESCCC(C)C(O)C(C(=O)OC)C(C)C
InChIInChI=1S/C11H22O3/c1-6-8(4)10(12)9(7(2)3)11(13)14-5/h7-10,12H,6H2,1-5H3
InChIKeyOSHRRKFRTQGSJK-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.84
Rot. Bonds5

About methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate

methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate (PubChem CID 62397567) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
PubChem CID62397567
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
SMILESCCC(C)C(O)C(C(=O)OC)C(C)C
InChIInChI=1S/C11H22O3/c1-6-8(4)10(12)9(7(2)3)11(13)14-5/h7-10,12H,6H2,1-5H3
InChIKeyOSHRRKFRTQGSJK-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate?
The IUPAC name of methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate (CID 62397567) is methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate.
What is the SMILES notation for methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate?
The canonical SMILES for methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate is CCC(C)C(O)C(C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate?
The InChIKey is OSHRRKFRTQGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-8(4)10(12)9(7(2)3)11(13)14-5/h7-10,12H,6H2,1-5H3.
What are the key properties of methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate?
methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate has a molecular weight of 202.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate is sourced from PubChem (CID 62397567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).