6-methylcyclohexane-1,2,3,4,5-pentol;propane

C10H22O5 — CID 143664735

IUPAC6-methylcyclohexane-1,2,3,4,5-pentol;propane
SMILESCC1C(O)C(O)C(O)C(O)C1O.CCC
InChIInChI=1S/C7H14O5.C3H8/c1-2-3(8)5(10)7(12)6(11)4(2)9;1-3-2/h2-12H,1H3;3H2,1-2H3
InChIKeyFHMOURMTNBQNOM-UHFFFAOYSA-N
MW222.28 g/mol
LogP-1.14
Rot. Bonds

About 6-methylcyclohexane-1,2,3,4,5-pentol;propane

6-methylcyclohexane-1,2,3,4,5-pentol;propane (PubChem CID 143664735) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 6-methylcyclohexane-1,2,3,4,5-pentol;propane.

Molecular Properties

Compound Name6-methylcyclohexane-1,2,3,4,5-pentol;propane
PubChem CID143664735
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name6-methylcyclohexane-1,2,3,4,5-pentol;propane
SMILESCC1C(O)C(O)C(O)C(O)C1O.CCC
InChIInChI=1S/C7H14O5.C3H8/c1-2-3(8)5(10)7(12)6(11)4(2)9;1-3-2/h2-12H,1H3;3H2,1-2H3
InChIKeyFHMOURMTNBQNOM-UHFFFAOYSA-N
XLogP-1.14
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol
CID 59630573
ethane;6-methylcyclohexane-1,2,3,4,5-pentol
CID 143664733
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
CID 123934706
2,3,4,5,6-pentamethylcyclohexan-1-ol
CID 18730220
(3R,5S)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 142172464
(2S,4S,5R)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 59046301
(4S,5S)-6-ethyl-4-methyloxane-2,3,5-triol
CID 90429062
(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol
CID 122522436
6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325
hydrogen peroxide;propane
CID 18348147
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518

Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohexane-1,2,3,4,5-pentol;propane?
The IUPAC name of 6-methylcyclohexane-1,2,3,4,5-pentol;propane (CID 143664735) is 6-methylcyclohexane-1,2,3,4,5-pentol;propane.
What is the SMILES notation for 6-methylcyclohexane-1,2,3,4,5-pentol;propane?
The canonical SMILES for 6-methylcyclohexane-1,2,3,4,5-pentol;propane is CC1C(O)C(O)C(O)C(O)C1O.CCC.
What is the InChIKey of 6-methylcyclohexane-1,2,3,4,5-pentol;propane?
The InChIKey is FHMOURMTNBQNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5.C3H8/c1-2-3(8)5(10)7(12)6(11)4(2)9;1-3-2/h2-12H,1H3;3H2,1-2H3.
What are the key properties of 6-methylcyclohexane-1,2,3,4,5-pentol;propane?
6-methylcyclohexane-1,2,3,4,5-pentol;propane has a molecular weight of 222.28 g/mol, XLogP of -1.14, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylcyclohexane-1,2,3,4,5-pentol;propane is sourced from PubChem (CID 143664735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).