2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol

C13H20O2 — CID 101415508

IUPAC2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol
SMILESCC1OC2(C)C=CCC(C)(C)C2=CC1O
InChIInChI=1S/C13H20O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-10,14H,6H2,1-4H3
InChIKeyULAJGYNCWKGREU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.44
Rot. Bonds

About 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol

2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol (PubChem CID 101415508) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol
PubChem CID101415508
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol
SMILESCC1OC2(C)C=CCC(C)(C)C2=CC1O
InChIInChI=1S/C13H20O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-10,14H,6H2,1-4H3
InChIKeyULAJGYNCWKGREU-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Edulan I
CID 521066
Actinidol
CID 91753284
(2S,8aR)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene
CID 6432427
(1S)-1-[(2R,7aR)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl]ethanol
CID 162999429
6-Methoxy-1-propylcyclohexa-2,4-dien-1-ol
CID 154505258
Edulan II
CID 6432428
(1R,2S)-1-[(1R)-1-methoxy-2,3-dimethylcyclohexa-2,5-dien-1-yl]-5-methylhex-4-ene-1,2-diol
CID 177651369
1-[(2,6,6-Trimethylcyclohex-2-en-1-yl)oxy]pentan-2-ol
CID 20238247
(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol
CID 45094981
(4As,8r,8ar)-2,2,4,7-tetramethyl-4a,5,8,8a-tetrahydro-2h-chromen-8-ol
CID 145915977
(4As,8r,8ar)-2,2-diethyl-4,7-dimethyl-4a,5,8,8a-tetrahydro-2h-chromen-8-ol
CID 145915993
Edulane II
CID 91747161

Frequently Asked Questions

What is the IUPAC name of 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol?
The IUPAC name of 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol (CID 101415508) is 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol?
The canonical SMILES for 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol is CC1OC2(C)C=CCC(C)(C)C2=CC1O.
What is the InChIKey of 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol?
The InChIKey is ULAJGYNCWKGREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-10,14H,6H2,1-4H3.
What are the key properties of 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol?
2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol has a molecular weight of 208.30 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 101415508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).