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

C9H20O5 — CID 143664733

IUPACethane;6-methylcyclohexane-1,2,3,4,5-pentol
SMILESCC.CC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C7H14O5.C2H6/c1-2-3(8)5(10)7(12)6(11)4(2)9;1-2/h2-12H,1H3;1-2H3
InChIKeyIYFFVXYEQBUQOR-UHFFFAOYSA-N
MW208.25 g/mol
LogP-1.53
Rot. Bonds

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

ethane;6-methylcyclohexane-1,2,3,4,5-pentol (PubChem CID 143664733) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is ethane;6-methylcyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Nameethane;6-methylcyclohexane-1,2,3,4,5-pentol
PubChem CID143664733
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Nameethane;6-methylcyclohexane-1,2,3,4,5-pentol
SMILESCC.CC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C7H14O5.C2H6/c1-2-3(8)5(10)7(12)6(11)4(2)9;1-2/h2-12H,1H3;1-2H3
InChIKeyIYFFVXYEQBUQOR-UHFFFAOYSA-N
XLogP-1.53
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-1.53
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
6-methylcyclohexane-1,2,3,4,5-pentol;propane
CID 143664735
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
2,3,4,5,6-pentamethylcyclohexan-1-ol
CID 18730220
3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
CID 123934706
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol
CID 14158486
ethane;2,4,5-trimethylthiolan-3-ol
CID 144965503
2,3,5-trichloro-4,6-dimethylcyclohexan-1-ol
CID 123270485
(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
CID 143582026
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylcyclohexane-1,2,3,4,5-pentol?
The IUPAC name of ethane;6-methylcyclohexane-1,2,3,4,5-pentol (CID 143664733) is ethane;6-methylcyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for ethane;6-methylcyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for ethane;6-methylcyclohexane-1,2,3,4,5-pentol is CC.CC1C(O)C(O)C(O)C(O)C1O.
What is the InChIKey of ethane;6-methylcyclohexane-1,2,3,4,5-pentol?
The InChIKey is IYFFVXYEQBUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5.C2H6/c1-2-3(8)5(10)7(12)6(11)4(2)9;1-2/h2-12H,1H3;1-2H3.
What are the key properties of ethane;6-methylcyclohexane-1,2,3,4,5-pentol?
ethane;6-methylcyclohexane-1,2,3,4,5-pentol has a molecular weight of 208.25 g/mol, XLogP of -1.53, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylcyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 143664733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).