3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione

C16H22O3 — CID 759610

IUPAC3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione
SMILESCCCc1oc2c(c(=O)c1CC)C(=O)CC(C)(C)C2
InChIInChI=1S/C16H22O3/c1-5-7-12-10(6-2)15(18)14-11(17)8-16(3,4)9-13(14)19-12/h5-9H2,1-4H3
InChIKeyCBKHXRZAUJRXER-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.31
Rot. Bonds3

About 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione

3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione (PubChem CID 759610) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione.

Molecular Properties

Compound Name3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione
PubChem CID759610
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione
SMILESCCCc1oc2c(c(=O)c1CC)C(=O)CC(C)(C)C2
InChIInChI=1S/C16H22O3/c1-5-7-12-10(6-2)15(18)14-11(17)8-16(3,4)9-13(14)19-12/h5-9H2,1-4H3
InChIKeyCBKHXRZAUJRXER-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione?
The IUPAC name of 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione (CID 759610) is 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione.
What is the SMILES notation for 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione?
The canonical SMILES for 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione is CCCc1oc2c(c(=O)c1CC)C(=O)CC(C)(C)C2.
What is the InChIKey of 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione?
The InChIKey is CBKHXRZAUJRXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-7-12-10(6-2)15(18)14-11(17)8-16(3,4)9-13(14)19-12/h5-9H2,1-4H3.
What are the key properties of 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione?
3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione has a molecular weight of 262.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,7-dimethyl-2-propyl-6,8-dihydrochromene-4,5-dione is sourced from PubChem (CID 759610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).