8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one

C14H20O3 — CID 59583917

IUPAC8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one
SMILESCC1=C(C)C2(O)OC(C)(C)CCC2=C(C)C1=O
InChIInChI=1S/C14H20O3/c1-8-10(3)14(16)11(9(2)12(8)15)6-7-13(4,5)17-14/h16H,6-7H2,1-5H3
InChIKeyBNYUPOZQNUHNRQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.50
Rot. Bonds

About 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one

8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one (PubChem CID 59583917) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one.

Molecular Properties

Compound Name8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one
PubChem CID59583917
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one
SMILESCC1=C(C)C2(O)OC(C)(C)CCC2=C(C)C1=O
InChIInChI=1S/C14H20O3/c1-8-10(3)14(16)11(9(2)12(8)15)6-7-13(4,5)17-14/h16H,6-7H2,1-5H3
InChIKeyBNYUPOZQNUHNRQ-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one?
The IUPAC name of 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one (CID 59583917) is 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one.
What is the SMILES notation for 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one?
The canonical SMILES for 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one is CC1=C(C)C2(O)OC(C)(C)CCC2=C(C)C1=O.
What is the InChIKey of 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one?
The InChIKey is BNYUPOZQNUHNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-10(3)14(16)11(9(2)12(8)15)6-7-13(4,5)17-14/h16H,6-7H2,1-5H3.
What are the key properties of 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one?
8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one is sourced from PubChem (CID 59583917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).