heptane-1,2,3-triol;propane-1,2,3-triol

C10H24O6 — CID 141381425

IUPACheptane-1,2,3-triol;propane-1,2,3-triol
SMILESCCCCC(O)C(O)CO.OCC(O)CO
InChIInChI=1S/C7H16O3.C3H8O3/c1-2-3-4-6(9)7(10)5-8;4-1-3(6)2-5/h6-10H,2-5H2,1H3;3-6H,1-2H2
InChIKeyPCGCBJBNCXXCSY-UHFFFAOYSA-N
MW240.30 g/mol
LogP-1.78
Rot. Bonds7

About heptane-1,2,3-triol;propane-1,2,3-triol

heptane-1,2,3-triol;propane-1,2,3-triol (PubChem CID 141381425) has the molecular formula C10H24O6 and a molecular weight of 240.30 g/mol. Its IUPAC name is heptane-1,2,3-triol;propane-1,2,3-triol.

Molecular Properties

Compound Nameheptane-1,2,3-triol;propane-1,2,3-triol
PubChem CID141381425
Molecular FormulaC10H24O6
Molecular Weight240.30 g/mol
Exact Mass240.16
IUPAC Nameheptane-1,2,3-triol;propane-1,2,3-triol
SMILESCCCCC(O)C(O)CO.OCC(O)CO
InChIInChI=1S/C7H16O3.C3H8O3/c1-2-3-4-6(9)7(10)5-8;4-1-3(6)2-5/h6-10H,2-5H2,1H3;3-6H,1-2H2
InChIKeyPCGCBJBNCXXCSY-UHFFFAOYSA-N
XLogP-1.78
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
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

(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124
octadecane-5,9,10,14-tetrol
CID 123917796
dodecane-1,2,4,5-tetrol
CID 175058574
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
(3S,4S)-octane-3,4-diol
CID 132990515
butane;butane-1,2,3,4-tetrol
CID 155273073
hexane-1,2-diol;hexane-1,2,6-triol
CID 22728671
1-methoxyhexan-2-ol;propane-1,2,3-triol
CID 162066380
nonacosane-14,15-diol
CID 91509633
hexane-1,2,3,6-tetrol
CID 5209802
octanoic acid;tridecane-1,2,3-triol
CID 162007847

Frequently Asked Questions

What is the IUPAC name of heptane-1,2,3-triol;propane-1,2,3-triol?
The IUPAC name of heptane-1,2,3-triol;propane-1,2,3-triol (CID 141381425) is heptane-1,2,3-triol;propane-1,2,3-triol.
What is the SMILES notation for heptane-1,2,3-triol;propane-1,2,3-triol?
The canonical SMILES for heptane-1,2,3-triol;propane-1,2,3-triol is CCCCC(O)C(O)CO.OCC(O)CO.
What is the InChIKey of heptane-1,2,3-triol;propane-1,2,3-triol?
The InChIKey is PCGCBJBNCXXCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3.C3H8O3/c1-2-3-4-6(9)7(10)5-8;4-1-3(6)2-5/h6-10H,2-5H2,1H3;3-6H,1-2H2.
What are the key properties of heptane-1,2,3-triol;propane-1,2,3-triol?
heptane-1,2,3-triol;propane-1,2,3-triol has a molecular weight of 240.30 g/mol, XLogP of -1.78, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,2,3-triol;propane-1,2,3-triol is sourced from PubChem (CID 141381425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).