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

C13H22O3 — CID 15713910

IUPAC5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol
SMILESCCC(O)C=C=C1C(C)(O)CC(O)C1(C)C
InChIInChI=1S/C13H22O3/c1-5-9(14)6-7-10-12(2,3)11(15)8-13(10,4)16/h6,9,11,14-16H,5,8H2,1-4H3
InChIKeyAEOKFSMAAGFLRU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.38
Rot. Bonds2

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

5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol (PubChem CID 15713910) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol.

Molecular Properties

Compound Name5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol
PubChem CID15713910
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol
SMILESCCC(O)C=C=C1C(C)(O)CC(O)C1(C)C
InChIInChI=1S/C13H22O3/c1-5-9(14)6-7-10-12(2,3)11(15)8-13(10,4)16/h6,9,11,14-16H,5,8H2,1-4H3
InChIKeyAEOKFSMAAGFLRU-UHFFFAOYSA-N
XLogP1.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol?
The IUPAC name of 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol (CID 15713910) is 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol.
What is the SMILES notation for 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol?
The canonical SMILES for 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol is CCC(O)C=C=C1C(C)(O)CC(O)C1(C)C.
What is the InChIKey of 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol?
The InChIKey is AEOKFSMAAGFLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-5-9(14)6-7-10-12(2,3)11(15)8-13(10,4)16/h6,9,11,14-16H,5,8H2,1-4H3.
What are the key properties of 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol?
5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol has a molecular weight of 226.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol is sourced from PubChem (CID 15713910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).