4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid

C10H20O4 — CID 106676229

IUPAC4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid
SMILESCOC(C)(C)CC(O)C(C)CC(=O)O
InChIInChI=1S/C10H20O4/c1-7(5-9(12)13)8(11)6-10(2,3)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyVGHSJQJFJSPASM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.27
Rot. Bonds6

About 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid

4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid (PubChem CID 106676229) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid.

Molecular Properties

Compound Name4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid
PubChem CID106676229
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid
SMILESCOC(C)(C)CC(O)C(C)CC(=O)O
InChIInChI=1S/C10H20O4/c1-7(5-9(12)13)8(11)6-10(2,3)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyVGHSJQJFJSPASM-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-3-hydroxy-5-methoxy-5-methylhexanoate
CID 106676381
3-(diethylamino)-5-methoxy-5-methylhexanoic acid
CID 106676479
3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 104761265
4-hydroxy-3-methyloctanoic acid
CID 19371970
methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
CID 173238206
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
4-amino-3,5,5-trimethylhexanoic acid
CID 116938121
3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid
CID 103019288
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
3-amino-9-methoxy-5,9-dimethyldecanoic acid
CID 170872504
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid?
The IUPAC name of 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid (CID 106676229) is 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid.
What is the SMILES notation for 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid?
The canonical SMILES for 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid is COC(C)(C)CC(O)C(C)CC(=O)O.
What is the InChIKey of 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid?
The InChIKey is VGHSJQJFJSPASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-7(5-9(12)13)8(11)6-10(2,3)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid?
4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid is sourced from PubChem (CID 106676229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).