3,3,8,12-tetrahydroxydodecanoic acid

C12H24O6 — CID 57157348

IUPAC3,3,8,12-tetrahydroxydodecanoic acid
SMILESO=C(O)CC(O)(O)CCCCC(O)CCCCO
InChIInChI=1S/C12H24O6/c13-8-4-2-6-10(14)5-1-3-7-12(17,18)9-11(15)16/h10,13-14,17-18H,1-9H2,(H,15,16)
InChIKeyQVMKGNNIRQKFSL-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.23
Rot. Bonds11

About 3,3,8,12-tetrahydroxydodecanoic acid

3,3,8,12-tetrahydroxydodecanoic acid (PubChem CID 57157348) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,3,8,12-tetrahydroxydodecanoic acid.

Molecular Properties

Compound Name3,3,8,12-tetrahydroxydodecanoic acid
PubChem CID57157348
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3,3,8,12-tetrahydroxydodecanoic acid
SMILESO=C(O)CC(O)(O)CCCCC(O)CCCCO
InChIInChI=1S/C12H24O6/c13-8-4-2-6-10(14)5-1-3-7-12(17,18)9-11(15)16/h10,13-14,17-18H,1-9H2,(H,15,16)
InChIKeyQVMKGNNIRQKFSL-UHFFFAOYSA-N
XLogP0.23
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,12-dihydroxydodecanoic acid
CID 90020174
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
2,5,16-trihydroxyhexadecanoic acid
CID 19591822
3,3-dihydroxyoctanoic acid
CID 142784803
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
tridecane-1,4,13-triol
CID 90439734
15-methylhexadecane-1,12,15-triol
CID 90439897
hexane-1,2,6-triol;bis(2-sulfanylacetic acid)
CID 88802722
hexane-1,4-diol;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 87105289
6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid
CID 59659514

Frequently Asked Questions

What is the IUPAC name of 3,3,8,12-tetrahydroxydodecanoic acid?
The IUPAC name of 3,3,8,12-tetrahydroxydodecanoic acid (CID 57157348) is 3,3,8,12-tetrahydroxydodecanoic acid.
What is the SMILES notation for 3,3,8,12-tetrahydroxydodecanoic acid?
The canonical SMILES for 3,3,8,12-tetrahydroxydodecanoic acid is O=C(O)CC(O)(O)CCCCC(O)CCCCO.
What is the InChIKey of 3,3,8,12-tetrahydroxydodecanoic acid?
The InChIKey is QVMKGNNIRQKFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c13-8-4-2-6-10(14)5-1-3-7-12(17,18)9-11(15)16/h10,13-14,17-18H,1-9H2,(H,15,16).
What are the key properties of 3,3,8,12-tetrahydroxydodecanoic acid?
3,3,8,12-tetrahydroxydodecanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.23, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,12-tetrahydroxydodecanoic acid is sourced from PubChem (CID 57157348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).