hexane-1,2,3,4,5,6-hexol;methanol

C7H18O7 — CID 174767977

IUPAChexane-1,2,3,4,5,6-hexol;methanol
SMILESCO.OCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6.CH4O/c7-1-3(9)5(11)6(12)4(10)2-8;1-2/h3-12H,1-2H2;2H,1H3
InChIKeyNIAPOWPJCZVFPB-UHFFFAOYSA-N
MW214.21 g/mol
LogP-3.98
Rot. Bonds5

About hexane-1,2,3,4,5,6-hexol;methanol

hexane-1,2,3,4,5,6-hexol;methanol (PubChem CID 174767977) has the molecular formula C7H18O7 and a molecular weight of 214.21 g/mol. Its IUPAC name is hexane-1,2,3,4,5,6-hexol;methanol.

Molecular Properties

Compound Namehexane-1,2,3,4,5,6-hexol;methanol
PubChem CID174767977
Molecular FormulaC7H18O7
Molecular Weight214.21 g/mol
Exact Mass214.11
IUPAC Namehexane-1,2,3,4,5,6-hexol;methanol
SMILESCO.OCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6.CH4O/c7-1-3(9)5(11)6(12)4(10)2-8;1-2/h3-12H,1-2H2;2H,1H3
InChIKeyNIAPOWPJCZVFPB-UHFFFAOYSA-N
XLogP-3.98
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.21
LogP ≤ 5-3.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
CID 173340002

Frequently Asked Questions

What is the IUPAC name of hexane-1,2,3,4,5,6-hexol;methanol?
The IUPAC name of hexane-1,2,3,4,5,6-hexol;methanol (CID 174767977) is hexane-1,2,3,4,5,6-hexol;methanol.
What is the SMILES notation for hexane-1,2,3,4,5,6-hexol;methanol?
The canonical SMILES for hexane-1,2,3,4,5,6-hexol;methanol is CO.OCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of hexane-1,2,3,4,5,6-hexol;methanol?
The InChIKey is NIAPOWPJCZVFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6.CH4O/c7-1-3(9)5(11)6(12)4(10)2-8;1-2/h3-12H,1-2H2;2H,1H3.
What are the key properties of hexane-1,2,3,4,5,6-hexol;methanol?
hexane-1,2,3,4,5,6-hexol;methanol has a molecular weight of 214.21 g/mol, XLogP of -3.98, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,3,4,5,6-hexol;methanol is sourced from PubChem (CID 174767977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).