2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol

C13H22O2 — CID 143052736

IUPAC2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol
SMILESCC1=CC2(O)OC(C)CCC2C(C)(C)C1
InChIInChI=1S/C13H22O2/c1-9-7-12(3,4)11-6-5-10(2)15-13(11,14)8-9/h8,10-11,14H,5-7H2,1-4H3
InChIKeyFQQIBMRYQVVONZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.87
Rot. Bonds

About 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol

2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol (PubChem CID 143052736) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol.

Molecular Properties

Compound Name2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol
PubChem CID143052736
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol
SMILESCC1=CC2(O)OC(C)CCC2C(C)(C)C1
InChIInChI=1S/C13H22O2/c1-9-7-12(3,4)11-6-5-10(2)15-13(11,14)8-9/h8,10-11,14H,5-7H2,1-4H3
InChIKeyFQQIBMRYQVVONZ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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

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3,6,8,8-tetramethyl-1,2,3,3a,7,8a-hexahydroazulen-4-one
CID 71328199
[(2S,4aR,8R,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromen-8-yl] 4-bromobenzoate
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Frequently Asked Questions

What is the IUPAC name of 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol?
The IUPAC name of 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol (CID 143052736) is 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol.
What is the SMILES notation for 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol?
The canonical SMILES for 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol is CC1=CC2(O)OC(C)CCC2C(C)(C)C1.
What is the InChIKey of 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol?
The InChIKey is FQQIBMRYQVVONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-7-12(3,4)11-6-5-10(2)15-13(11,14)8-9/h8,10-11,14H,5-7H2,1-4H3.
What are the key properties of 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol?
2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol has a molecular weight of 210.32 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,7-tetramethyl-3,4,4a,6-tetrahydro-2H-chromen-8a-ol is sourced from PubChem (CID 143052736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).