(2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol

C13H22O2 — CID 11074667

IUPAC(2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol
SMILESC[C@H]1CC[C@@]2(O)C(C)(C)CC=C[C@@]2(C)O1
InChIInChI=1S/C13H22O2/c1-10-6-9-13(14)11(2,3)7-5-8-12(13,4)15-10/h5,8,10,14H,6-7,9H2,1-4H3/t10-,12+,13+/m0/s1
InChIKeyJCKBFEVKFPLVPV-CYZMBNFOSA-N
MW210.32 g/mol
LogP2.66
Rot. Bonds

About (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol

(2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol (PubChem CID 11074667) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol.

Molecular Properties

Compound Name(2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol
PubChem CID11074667
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol
SMILESC[C@H]1CC[C@@]2(O)C(C)(C)CC=C[C@@]2(C)O1
InChIInChI=1S/C13H22O2/c1-10-6-9-13(14)11(2,3)7-5-8-12(13,4)15-10/h5,8,10,14H,6-7,9H2,1-4H3/t10-,12+,13+/m0/s1
InChIKeyJCKBFEVKFPLVPV-CYZMBNFOSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-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,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol?
The IUPAC name of (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol (CID 11074667) is (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol.
What is the SMILES notation for (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol?
The canonical SMILES for (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol is C[C@H]1CC[C@@]2(O)C(C)(C)CC=C[C@@]2(C)O1.
What is the InChIKey of (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol?
The InChIKey is JCKBFEVKFPLVPV-CYZMBNFOSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-6-9-13(14)11(2,3)7-5-8-12(13,4)15-10/h5,8,10,14H,6-7,9H2,1-4H3/t10-,12+,13+/m0/s1.
What are the key properties of (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol?
(2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol has a molecular weight of 210.32 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR,8aR)-2,5,5,8a-tetramethyl-2,3,4,6-tetrahydrochromen-4a-ol is sourced from PubChem (CID 11074667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).