6-hydroxy-2-(2-methylpropylidene)hexanoic acid

C10H18O3 — CID 54328583

IUPAC6-hydroxy-2-(2-methylpropylidene)hexanoic acid
SMILESCC(C)C=C(CCCCO)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(2)7-9(10(12)13)5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeySWSDAFRHDLALFK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.82
Rot. Bonds6

About 6-hydroxy-2-(2-methylpropylidene)hexanoic acid

6-hydroxy-2-(2-methylpropylidene)hexanoic acid (PubChem CID 54328583) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-hydroxy-2-(2-methylpropylidene)hexanoic acid.

Molecular Properties

Compound Name6-hydroxy-2-(2-methylpropylidene)hexanoic acid
PubChem CID54328583
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-hydroxy-2-(2-methylpropylidene)hexanoic acid
SMILESCC(C)C=C(CCCCO)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(2)7-9(10(12)13)5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeySWSDAFRHDLALFK-UHFFFAOYSA-N
XLogP1.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethylidene-8-hydroxyoctanoic acid
CID 123361618
2-[(2-carboxy-4-methylpent-2-enoxy)methyl]-4-methylpent-2-enoic acid
CID 141341490
2-(3-hydroxypropyl)pent-2-enoic acid
CID 88785343
2-(2-aminooxy-2-oxoethyl)-4-methylpent-2-enoic acid
CID 175056230
5-hydroxypentanoic acid
CID 25945
4,17-dihydroxy-2-methylheptadec-2-enoic acid
CID 57306862
(E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid
CID 161345473
4,14-dihydroxy-2-methyltetradec-2-enoic acid
CID 155224874
4,12-dihydroxy-2-methyldodec-2-enoic acid
CID 90823727
ethane;6-hydroxyhexanoic acid
CID 87459132
bis(hexanedioic acid);hexane-1,5-diol
CID 159262275
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-methylpropylidene)hexanoic acid?
The IUPAC name of 6-hydroxy-2-(2-methylpropylidene)hexanoic acid (CID 54328583) is 6-hydroxy-2-(2-methylpropylidene)hexanoic acid.
What is the SMILES notation for 6-hydroxy-2-(2-methylpropylidene)hexanoic acid?
The canonical SMILES for 6-hydroxy-2-(2-methylpropylidene)hexanoic acid is CC(C)C=C(CCCCO)C(=O)O.
What is the InChIKey of 6-hydroxy-2-(2-methylpropylidene)hexanoic acid?
The InChIKey is SWSDAFRHDLALFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)7-9(10(12)13)5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 6-hydroxy-2-(2-methylpropylidene)hexanoic acid?
6-hydroxy-2-(2-methylpropylidene)hexanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-methylpropylidene)hexanoic acid is sourced from PubChem (CID 54328583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).