2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol

C15H22O2 — CID 173263883

IUPAC2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol
SMILESCCC1(C)CC=C2C(C)=C(O)C(C)=C(C)C2O1
InChIInChI=1S/C15H22O2/c1-6-15(5)8-7-12-11(4)13(16)9(2)10(3)14(12)17-15/h7,14,16H,6,8H2,1-5H3
InChIKeyMFQDEIYUTGYTPR-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.05
Rot. Bonds1

About 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol

2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol (PubChem CID 173263883) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol
PubChem CID173263883
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol
SMILESCCC1(C)CC=C2C(C)=C(O)C(C)=C(C)C2O1
InChIInChI=1S/C15H22O2/c1-6-15(5)8-7-12-11(4)13(16)9(2)10(3)14(12)17-15/h7,14,16H,6,8H2,1-5H3
InChIKeyMFQDEIYUTGYTPR-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol?
The IUPAC name of 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol (CID 173263883) is 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol.
What is the SMILES notation for 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol?
The canonical SMILES for 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol is CCC1(C)CC=C2C(C)=C(O)C(C)=C(C)C2O1.
What is the InChIKey of 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol?
The InChIKey is MFQDEIYUTGYTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-15(5)8-7-12-11(4)13(16)9(2)10(3)14(12)17-15/h7,14,16H,6,8H2,1-5H3.
What are the key properties of 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol?
2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol has a molecular weight of 234.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5,7,8-tetramethyl-3,8a-dihydrochromen-6-ol is sourced from PubChem (CID 173263883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).