2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid

C15H30O4 — CID 139864246

IUPAC2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid
SMILESCC(C)CC(C)C(O)C(O)(C(=O)O)C(C)CC(C)C
InChIInChI=1S/C15H30O4/c1-9(2)7-11(5)13(16)15(19,14(17)18)12(6)8-10(3)4/h9-13,16,19H,7-8H2,1-6H3,(H,17,18)
InChIKeyFMXQKJZSFDALPB-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.53
Rot. Bonds8

About 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid

2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid (PubChem CID 139864246) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid
PubChem CID139864246
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid
SMILESCC(C)CC(C)C(O)C(O)(C(=O)O)C(C)CC(C)C
InChIInChI=1S/C15H30O4/c1-9(2)7-11(5)13(16)15(19,14(17)18)12(6)8-10(3)4/h9-13,16,19H,7-8H2,1-6H3,(H,17,18)
InChIKeyFMXQKJZSFDALPB-UHFFFAOYSA-N
XLogP2.53
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
CID 83051268
(3R)-3,5-dimethylhexan-2-ol;propan-2-one
CID 143641671
(2S,4R,5R)-4,5,7-trimethyl-2-propan-2-yloctanoic acid
CID 56628753
4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid
CID 157318706
3,4-dihydroxy-3,6-dimethylheptan-2-one
CID 15647969
3-hydroxy-2,2,4-trimethylhexanoic acid
CID 62397285
(2S)-4-methyl-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pentanoic acid
CID 124634079
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263
3-(diethylamino)-3,5,7-trimethyloctan-4-ol
CID 114284841

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid?
The IUPAC name of 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid (CID 139864246) is 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid.
What is the SMILES notation for 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid?
The canonical SMILES for 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid is CC(C)CC(C)C(O)C(O)(C(=O)O)C(C)CC(C)C.
What is the InChIKey of 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid?
The InChIKey is FMXQKJZSFDALPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-9(2)7-11(5)13(16)15(19,14(17)18)12(6)8-10(3)4/h9-13,16,19H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid?
2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid has a molecular weight of 274.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid is sourced from PubChem (CID 139864246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).