pentane-1,2,3,4,5-pentol;dihydrochloride

C5H14Cl2O5 — CID 175842943

IUPACpentane-1,2,3,4,5-pentol;dihydrochloride
SMILESCl.Cl.OCC(O)C(O)C(O)CO
InChIInChI=1S/C5H12O5.2ClH/c6-1-3(8)5(10)4(9)2-7;;/h3-10H,1-2H2;2*1H
InChIKeyULFZGIKFROCOMK-UHFFFAOYSA-N
MW225.07 g/mol
LogP-2.10
Rot. Bonds4

About pentane-1,2,3,4,5-pentol;dihydrochloride

pentane-1,2,3,4,5-pentol;dihydrochloride (PubChem CID 175842943) has the molecular formula C5H14Cl2O5 and a molecular weight of 225.07 g/mol. Its IUPAC name is pentane-1,2,3,4,5-pentol;dihydrochloride.

Molecular Properties

Compound Namepentane-1,2,3,4,5-pentol;dihydrochloride
PubChem CID175842943
Molecular FormulaC5H14Cl2O5
Molecular Weight225.07 g/mol
Exact Mass224.02
IUPAC Namepentane-1,2,3,4,5-pentol;dihydrochloride
SMILESCl.Cl.OCC(O)C(O)C(O)CO
InChIInChI=1S/C5H12O5.2ClH/c6-1-3(8)5(10)4(9)2-7;;/h3-10H,1-2H2;2*1H
InChIKeyULFZGIKFROCOMK-UHFFFAOYSA-N
XLogP-2.10
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
CID 158818739
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
(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
CID 158428296
CID 158428296
(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
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282

Frequently Asked Questions

What is the IUPAC name of pentane-1,2,3,4,5-pentol;dihydrochloride?
The IUPAC name of pentane-1,2,3,4,5-pentol;dihydrochloride (CID 175842943) is pentane-1,2,3,4,5-pentol;dihydrochloride.
What is the SMILES notation for pentane-1,2,3,4,5-pentol;dihydrochloride?
The canonical SMILES for pentane-1,2,3,4,5-pentol;dihydrochloride is Cl.Cl.OCC(O)C(O)C(O)CO.
What is the InChIKey of pentane-1,2,3,4,5-pentol;dihydrochloride?
The InChIKey is ULFZGIKFROCOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O5.2ClH/c6-1-3(8)5(10)4(9)2-7;;/h3-10H,1-2H2;2*1H.
What are the key properties of pentane-1,2,3,4,5-pentol;dihydrochloride?
pentane-1,2,3,4,5-pentol;dihydrochloride has a molecular weight of 225.07 g/mol, XLogP of -2.10, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,2,3,4,5-pentol;dihydrochloride is sourced from PubChem (CID 175842943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).