(4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione

C14H20O3 — CID 102210562

IUPAC(4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione
SMILESCC(C)[C@H]1CC(=O)OC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H20O3/c1-8(2)9-5-12(16)17-11-7-14(3,4)6-10(15)13(9)11/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyAORAAWAMBXECNU-SECBINFHSA-N
MW236.31 g/mol
LogP2.85
Rot. Bonds1

About (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione

(4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione (PubChem CID 102210562) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione.

Molecular Properties

Compound Name(4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione
PubChem CID102210562
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione
SMILESCC(C)[C@H]1CC(=O)OC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H20O3/c1-8(2)9-5-12(16)17-11-7-14(3,4)6-10(15)13(9)11/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyAORAAWAMBXECNU-SECBINFHSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione?
The IUPAC name of (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione (CID 102210562) is (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione.
What is the SMILES notation for (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione?
The canonical SMILES for (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione is CC(C)[C@H]1CC(=O)OC2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione?
The InChIKey is AORAAWAMBXECNU-SECBINFHSA-N. The full InChI is InChI=1S/C14H20O3/c1-8(2)9-5-12(16)17-11-7-14(3,4)6-10(15)13(9)11/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione?
(4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione has a molecular weight of 236.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione is sourced from PubChem (CID 102210562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).