5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol

C12H20O3 — CID 15713909

IUPAC5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol
SMILESCC(O)C=C=C1C(C)(O)CC(O)C1(C)C
InChIInChI=1S/C12H20O3/c1-8(13)5-6-9-11(2,3)10(14)7-12(9,4)15/h5,8,10,13-15H,7H2,1-4H3
InChIKeyUAXFIKGYGLCFDY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.99
Rot. Bonds1

About 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol

5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol (PubChem CID 15713909) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol.

Molecular Properties

Compound Name5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol
PubChem CID15713909
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol
SMILESCC(O)C=C=C1C(C)(O)CC(O)C1(C)C
InChIInChI=1S/C12H20O3/c1-8(13)5-6-9-11(2,3)10(14)7-12(9,4)15/h5,8,10,13-15H,7H2,1-4H3
InChIKeyUAXFIKGYGLCFDY-UHFFFAOYSA-N
XLogP0.99
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol?
The IUPAC name of 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol (CID 15713909) is 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol.
What is the SMILES notation for 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol?
The canonical SMILES for 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol is CC(O)C=C=C1C(C)(O)CC(O)C1(C)C.
What is the InChIKey of 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol?
The InChIKey is UAXFIKGYGLCFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8(13)5-6-9-11(2,3)10(14)7-12(9,4)15/h5,8,10,13-15H,7H2,1-4H3.
What are the key properties of 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol?
5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol has a molecular weight of 212.29 g/mol, XLogP of 0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxybut-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol is sourced from PubChem (CID 15713909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).