2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol

C9H18O5 — CID 15592447

IUPAC2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol
SMILESOCC1(CO)CCC(CO)(CO)C1O
InChIInChI=1S/C9H18O5/c10-3-8(4-11)1-2-9(5-12,6-13)7(8)14/h7,10-14H,1-6H2
InChIKeyCZUBQUARCSECDN-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.92
Rot. Bonds4

About 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol

2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol (PubChem CID 15592447) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol
PubChem CID15592447
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol
SMILESOCC1(CO)CCC(CO)(CO)C1O
InChIInChI=1S/C9H18O5/c10-3-8(4-11)1-2-9(5-12,6-13)7(8)14/h7,10-14H,1-6H2
InChIKeyCZUBQUARCSECDN-UHFFFAOYSA-N
XLogP-1.92
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol (CID 15592447) is 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol is OCC1(CO)CCC(CO)(CO)C1O.
What is the InChIKey of 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is CZUBQUARCSECDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c10-3-8(4-11)1-2-9(5-12,6-13)7(8)14/h7,10-14H,1-6H2.
What are the key properties of 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol?
2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 206.24 g/mol, XLogP of -1.92, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrakis(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 15592447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).