2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol

C11H22O5 — CID 22483587

IUPAC2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol
SMILESOCC1CCC(O)C(CO)C(CO)C1CO
InChIInChI=1S/C11H22O5/c12-3-7-1-2-11(16)10(6-15)9(5-14)8(7)4-13/h7-16H,1-6H2
InChIKeyAJRGGRAJQVFUHS-UHFFFAOYSA-N
MW234.29 g/mol
LogP-1.42
Rot. Bonds4

About 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol

2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol (PubChem CID 22483587) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol
PubChem CID22483587
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol
SMILESOCC1CCC(O)C(CO)C(CO)C1CO
InChIInChI=1S/C11H22O5/c12-3-7-1-2-11(16)10(6-15)9(5-14)8(7)4-13/h7-16H,1-6H2
InChIKeyAJRGGRAJQVFUHS-UHFFFAOYSA-N
XLogP-1.42
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol?
The IUPAC name of 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol (CID 22483587) is 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol.
What is the SMILES notation for 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol?
The canonical SMILES for 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol is OCC1CCC(O)C(CO)C(CO)C1CO.
What is the InChIKey of 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol?
The InChIKey is AJRGGRAJQVFUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c12-3-7-1-2-11(16)10(6-15)9(5-14)8(7)4-13/h7-16H,1-6H2.
What are the key properties of 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol?
2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol has a molecular weight of 234.29 g/mol, XLogP of -1.42, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol is sourced from PubChem (CID 22483587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).