2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol

C10H24O6 — CID 161347790

IUPAC2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
SMILESCC(C)(O)C(O)C(C)(C)O.OCC(O)CO
InChIInChI=1S/C7H16O3.C3H8O3/c1-6(2,9)5(8)7(3,4)10;4-1-3(6)2-5/h5,8-10H,1-4H3;3-6H,1-2H2
InChIKeyVNNNNXBSBSIPFT-UHFFFAOYSA-N
MW240.30 g/mol
LogP-1.78
Rot. Bonds4

About 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol

2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol (PubChem CID 161347790) has the molecular formula C10H24O6 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol.

Molecular Properties

Compound Name2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
PubChem CID161347790
Molecular FormulaC10H24O6
Molecular Weight240.30 g/mol
Exact Mass240.16
IUPAC Name2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
SMILESCC(C)(O)C(O)C(C)(C)O.OCC(O)CO
InChIInChI=1S/C7H16O3.C3H8O3/c1-6(2,9)5(8)7(3,4)10;4-1-3(6)2-5/h5,8-10H,1-4H3;3-6H,1-2H2
InChIKeyVNNNNXBSBSIPFT-UHFFFAOYSA-N
XLogP-1.78
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.30
LogP ≤ 5-1.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 140988285
methanethiol;propane-1,2,3-triol
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propane-1,2,3-triol;tetrahydrochloride
CID 163704230
gold;propane-1,2,3-triol
CID 87239797
CID 160843248
CID 160843248
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
propane-1,2,3-triol;propan-2-ol;hydrochloride
CID 174488065
(2R,4S)-2-methylpentane-1,2,4,5-tetrol
CID 54145508
iron(2+);oxygen(2-);propane-1,2,3-triol
CID 157365497
magnesium;propane-1,2,3-triol;dihydroxide
CID 159793120
bis(propane-1,2,3-triol);titanium;hydrate
CID 10422057

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol?
The IUPAC name of 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol (CID 161347790) is 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol.
What is the SMILES notation for 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol?
The canonical SMILES for 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol is CC(C)(O)C(O)C(C)(C)O.OCC(O)CO.
What is the InChIKey of 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol?
The InChIKey is VNNNNXBSBSIPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3.C3H8O3/c1-6(2,9)5(8)7(3,4)10;4-1-3(6)2-5/h5,8-10H,1-4H3;3-6H,1-2H2.
What are the key properties of 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol?
2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol has a molecular weight of 240.30 g/mol, XLogP of -1.78, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol is sourced from PubChem (CID 161347790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).