butane-1,2,3-triol;hexane-1,2,4-triol

C10H24O6 — CID 87997487

IUPACbutane-1,2,3-triol;hexane-1,2,4-triol
SMILESCC(O)C(O)CO.CCC(O)CC(O)CO
InChIInChI=1S/C6H14O3.C4H10O3/c1-2-5(8)3-6(9)4-7;1-3(6)4(7)2-5/h5-9H,2-4H2,1H3;3-7H,2H2,1H3
InChIKeyCPQHXIPZCUCQHD-UHFFFAOYSA-N
MW240.30 g/mol
LogP-1.78
Rot. Bonds6

About butane-1,2,3-triol;hexane-1,2,4-triol

butane-1,2,3-triol;hexane-1,2,4-triol (PubChem CID 87997487) has the molecular formula C10H24O6 and a molecular weight of 240.30 g/mol. Its IUPAC name is butane-1,2,3-triol;hexane-1,2,4-triol.

Molecular Properties

Compound Namebutane-1,2,3-triol;hexane-1,2,4-triol
PubChem CID87997487
Molecular FormulaC10H24O6
Molecular Weight240.30 g/mol
Exact Mass240.16
IUPAC Namebutane-1,2,3-triol;hexane-1,2,4-triol
SMILESCC(O)C(O)CO.CCC(O)CC(O)CO
InChIInChI=1S/C6H14O3.C4H10O3/c1-2-5(8)3-6(9)4-7;1-3(6)4(7)2-5/h5-9H,2-4H2,1H3;3-7H,2H2,1H3
InChIKeyCPQHXIPZCUCQHD-UHFFFAOYSA-N
XLogP-1.78
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
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

(2R,3R)-butane-1,2,3-triol
CID 6398419
(3R,5R)-heptane-3,5-diol
CID 12641368
butane-1,2-diol;hydrochloride
CID 141185193
butane-1,2-diol;methane
CID 158754649
1-(2,4-dihydroxyhexylsulfanyl)hexane-2,4-diol
CID 139888298
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
hexane-2,3-diol;hexane-2,4-diol
CID 175419293
butane-1,2-diol;propane-1,1-diol
CID 87697932
(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
octane-2,3,6-triol
CID 90779093
(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830

Frequently Asked Questions

What is the IUPAC name of butane-1,2,3-triol;hexane-1,2,4-triol?
The IUPAC name of butane-1,2,3-triol;hexane-1,2,4-triol (CID 87997487) is butane-1,2,3-triol;hexane-1,2,4-triol.
What is the SMILES notation for butane-1,2,3-triol;hexane-1,2,4-triol?
The canonical SMILES for butane-1,2,3-triol;hexane-1,2,4-triol is CC(O)C(O)CO.CCC(O)CC(O)CO.
What is the InChIKey of butane-1,2,3-triol;hexane-1,2,4-triol?
The InChIKey is CPQHXIPZCUCQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H10O3/c1-2-5(8)3-6(9)4-7;1-3(6)4(7)2-5/h5-9H,2-4H2,1H3;3-7H,2H2,1H3.
What are the key properties of butane-1,2,3-triol;hexane-1,2,4-triol?
butane-1,2,3-triol;hexane-1,2,4-triol has a molecular weight of 240.30 g/mol, XLogP of -1.78, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3-triol;hexane-1,2,4-triol is sourced from PubChem (CID 87997487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).