methyl 7-hydroxy-4,4-dimethylheptanoate

C10H20O3 — CID 174794936

IUPACmethyl 7-hydroxy-4,4-dimethylheptanoate
SMILESCOC(=O)CCC(C)(C)CCCO
InChIInChI=1S/C10H20O3/c1-10(2,6-4-8-11)7-5-9(12)13-3/h11H,4-8H2,1-3H3
InChIKeyVIPSONIFHZNTJK-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds6

About methyl 7-hydroxy-4,4-dimethylheptanoate

methyl 7-hydroxy-4,4-dimethylheptanoate (PubChem CID 174794936) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 7-hydroxy-4,4-dimethylheptanoate.

Molecular Properties

Compound Namemethyl 7-hydroxy-4,4-dimethylheptanoate
PubChem CID174794936
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 7-hydroxy-4,4-dimethylheptanoate
SMILESCOC(=O)CCC(C)(C)CCCO
InChIInChI=1S/C10H20O3/c1-10(2,6-4-8-11)7-5-9(12)13-3/h11H,4-8H2,1-3H3
InChIKeyVIPSONIFHZNTJK-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate
CID 89313630
methyl 14-hydroxytetradecanoate
CID 13245690
methyl 5,5-dimethyl-9-oxodecanoate
CID 549826
methyl 5,5-dimethylundecanoate
CID 138647692
methyl 6-cyano-4,4-dimethylhexanoate
CID 134916424
azane;methyl 5,5-dimethylheptanoate
CID 174428113
methyl 12-hydroxy-4,4,8,16,16-pentamethylheptadecanoate
CID 88581130
methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate
CID 166671382
methyl acetate;methyl 4,4-dimethylpentanoate
CID 160958689
methyl 4-(dimethylamino)-4-methylpentanoate
CID 166717066
methyl 6,6-dimethylheptanoate
CID 20777196
methyl 6-(9-hydroxynonoxy)hexanoate
CID 139893543

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-4,4-dimethylheptanoate?
The IUPAC name of methyl 7-hydroxy-4,4-dimethylheptanoate (CID 174794936) is methyl 7-hydroxy-4,4-dimethylheptanoate.
What is the SMILES notation for methyl 7-hydroxy-4,4-dimethylheptanoate?
The canonical SMILES for methyl 7-hydroxy-4,4-dimethylheptanoate is COC(=O)CCC(C)(C)CCCO.
What is the InChIKey of methyl 7-hydroxy-4,4-dimethylheptanoate?
The InChIKey is VIPSONIFHZNTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(2,6-4-8-11)7-5-9(12)13-3/h11H,4-8H2,1-3H3.
What are the key properties of methyl 7-hydroxy-4,4-dimethylheptanoate?
methyl 7-hydroxy-4,4-dimethylheptanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-4,4-dimethylheptanoate is sourced from PubChem (CID 174794936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).