cyclohexane-1,2,3,4-tetrol;methanol

C7H16O5 — CID 70613200

IUPACcyclohexane-1,2,3,4-tetrol;methanol
SMILESCO.OC1CCC(O)C(O)C1O
InChIInChI=1S/C6H12O4.CH4O/c7-3-1-2-4(8)6(10)5(3)9;1-2/h3-10H,1-2H2;2H,1H3
InChIKeyLHDGJPSZYYOECT-UHFFFAOYSA-N
MW180.20 g/mol
LogP-2.17
Rot. Bonds

About cyclohexane-1,2,3,4-tetrol;methanol

cyclohexane-1,2,3,4-tetrol;methanol (PubChem CID 70613200) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is cyclohexane-1,2,3,4-tetrol;methanol.

Molecular Properties

Compound Namecyclohexane-1,2,3,4-tetrol;methanol
PubChem CID70613200
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Namecyclohexane-1,2,3,4-tetrol;methanol
SMILESCO.OC1CCC(O)C(O)C1O
InChIInChI=1S/C6H12O4.CH4O/c7-3-1-2-4(8)6(10)5(3)9;1-2/h3-10H,1-2H2;2H,1H3
InChIKeyLHDGJPSZYYOECT-UHFFFAOYSA-N
XLogP-2.17
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2,3,4-tetrol;methanol?
The IUPAC name of cyclohexane-1,2,3,4-tetrol;methanol (CID 70613200) is cyclohexane-1,2,3,4-tetrol;methanol.
What is the SMILES notation for cyclohexane-1,2,3,4-tetrol;methanol?
The canonical SMILES for cyclohexane-1,2,3,4-tetrol;methanol is CO.OC1CCC(O)C(O)C1O.
What is the InChIKey of cyclohexane-1,2,3,4-tetrol;methanol?
The InChIKey is LHDGJPSZYYOECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.CH4O/c7-3-1-2-4(8)6(10)5(3)9;1-2/h3-10H,1-2H2;2H,1H3.
What are the key properties of cyclohexane-1,2,3,4-tetrol;methanol?
cyclohexane-1,2,3,4-tetrol;methanol has a molecular weight of 180.20 g/mol, XLogP of -2.17, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2,3,4-tetrol;methanol is sourced from PubChem (CID 70613200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).