2-chloro-4,5,7-trihydroxydecanoic acid

C10H19ClO5 — CID 88814365

IUPAC2-chloro-4,5,7-trihydroxydecanoic acid
SMILESCCCC(O)CC(O)C(O)CC(Cl)C(=O)O
InChIInChI=1S/C10H19ClO5/c1-2-3-6(12)4-8(13)9(14)5-7(11)10(15)16/h6-9,12-14H,2-5H2,1H3,(H,15,16)
InChIKeyDWWOKLFBSKMYFF-UHFFFAOYSA-N
MW254.71 g/mol
LogP0.34
Rot. Bonds8

About 2-chloro-4,5,7-trihydroxydecanoic acid

2-chloro-4,5,7-trihydroxydecanoic acid (PubChem CID 88814365) has the molecular formula C10H19ClO5 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-chloro-4,5,7-trihydroxydecanoic acid.

Molecular Properties

Compound Name2-chloro-4,5,7-trihydroxydecanoic acid
PubChem CID88814365
Molecular FormulaC10H19ClO5
Molecular Weight254.71 g/mol
Exact Mass254.09
IUPAC Name2-chloro-4,5,7-trihydroxydecanoic acid
SMILESCCCC(O)CC(O)C(O)CC(Cl)C(=O)O
InChIInChI=1S/C10H19ClO5/c1-2-3-6(12)4-8(13)9(14)5-7(11)10(15)16/h6-9,12-14H,2-5H2,1H3,(H,15,16)
InChIKeyDWWOKLFBSKMYFF-UHFFFAOYSA-N
XLogP0.34
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(2S,3S,5S)-2-hexyl-3,5-dihydroxyhexadecanoic acid
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heptane-2,4-diol
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3-hydroxyhexanoic acid;methane
CID 175209406
2-(2-bromo-1-hydroxyethyl)pentanoic acid
CID 87961600
2-[(1R)-2-chloro-1-hydroxyethyl]pentanoic acid
CID 18610885
octane-3,5-diol;scandium
CID 164810284
pentane-1,2-diol;propanoic acid
CID 71342512
(2S,3S)-2-bromo-3-hydroxyhexanoic acid
CID 131169369
acetic acid;2-chloropentanoic acid;pyridine
CID 173457755
2-chlorohexanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5,7-trihydroxydecanoic acid?
The IUPAC name of 2-chloro-4,5,7-trihydroxydecanoic acid (CID 88814365) is 2-chloro-4,5,7-trihydroxydecanoic acid.
What is the SMILES notation for 2-chloro-4,5,7-trihydroxydecanoic acid?
The canonical SMILES for 2-chloro-4,5,7-trihydroxydecanoic acid is CCCC(O)CC(O)C(O)CC(Cl)C(=O)O.
What is the InChIKey of 2-chloro-4,5,7-trihydroxydecanoic acid?
The InChIKey is DWWOKLFBSKMYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO5/c1-2-3-6(12)4-8(13)9(14)5-7(11)10(15)16/h6-9,12-14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-4,5,7-trihydroxydecanoic acid?
2-chloro-4,5,7-trihydroxydecanoic acid has a molecular weight of 254.71 g/mol, XLogP of 0.34, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5,7-trihydroxydecanoic acid is sourced from PubChem (CID 88814365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).