(7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one

C12H16O2 — CID 34179448

IUPAC(7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one
SMILESC[C@@H]1CC(=O)C2=C(C1)OC(C)(C)C=C2
InChIInChI=1S/C12H16O2/c1-8-6-10(13)9-4-5-12(2,3)14-11(9)7-8/h4-5,8H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyQGPRNWZHXLFVBS-MRVPVSSYSA-N
MW192.26 g/mol
LogP2.60
Rot. Bonds

About (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one

(7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one (PubChem CID 34179448) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one.

Molecular Properties

Compound Name(7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one
PubChem CID34179448
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one
SMILESC[C@@H]1CC(=O)C2=C(C1)OC(C)(C)C=C2
InChIInChI=1S/C12H16O2/c1-8-6-10(13)9-4-5-12(2,3)14-11(9)7-8/h4-5,8H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyQGPRNWZHXLFVBS-MRVPVSSYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one?
The IUPAC name of (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one (CID 34179448) is (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one.
What is the SMILES notation for (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one?
The canonical SMILES for (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one is C[C@@H]1CC(=O)C2=C(C1)OC(C)(C)C=C2.
What is the InChIKey of (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one?
The InChIKey is QGPRNWZHXLFVBS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-6-10(13)9-4-5-12(2,3)14-11(9)7-8/h4-5,8H,6-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one?
(7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one has a molecular weight of 192.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one is sourced from PubChem (CID 34179448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).