(2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol

C13H20O2 — CID 59656261

IUPAC(2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol
SMILESCC1=C2O[C@H](C(C)C)CC(O)C2=C(C)C1
InChIInChI=1S/C13H20O2/c1-7(2)11-6-10(14)12-8(3)5-9(4)13(12)15-11/h7,10-11,14H,5-6H2,1-4H3/t10?,11-/m0/s1
InChIKeyJVRPSSCJUYZFGL-DTIOYNMSSA-N
MW208.30 g/mol
LogP2.79
Rot. Bonds1

About (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol

(2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol (PubChem CID 59656261) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol.

Molecular Properties

Compound Name(2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol
PubChem CID59656261
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol
SMILESCC1=C2O[C@H](C(C)C)CC(O)C2=C(C)C1
InChIInChI=1S/C13H20O2/c1-7(2)11-6-10(14)12-8(3)5-9(4)13(12)15-11/h7,10-11,14H,5-6H2,1-4H3/t10?,11-/m0/s1
InChIKeyJVRPSSCJUYZFGL-DTIOYNMSSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol 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 (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol?
The IUPAC name of (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol (CID 59656261) is (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol.
What is the SMILES notation for (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol?
The canonical SMILES for (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol is CC1=C2O[C@H](C(C)C)CC(O)C2=C(C)C1.
What is the InChIKey of (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol?
The InChIKey is JVRPSSCJUYZFGL-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H20O2/c1-7(2)11-6-10(14)12-8(3)5-9(4)13(12)15-11/h7,10-11,14H,5-6H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol?
(2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol has a molecular weight of 208.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol is sourced from PubChem (CID 59656261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).