4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene

C17H22O — CID 18322106

IUPAC4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene
SMILESC#Cc1cc2c(cc1CC)OCCC2(CC)CC
InChIInChI=1S/C17H22O/c1-5-13-11-15-16(12-14(13)6-2)18-10-9-17(15,7-3)8-4/h1,11-12H,6-10H2,2-4H3
InChIKeyWYSMHAZJQXRELC-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.07
Rot. Bonds3

About 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene

4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene (PubChem CID 18322106) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene.

Molecular Properties

Compound Name4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene
PubChem CID18322106
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene
SMILESC#Cc1cc2c(cc1CC)OCCC2(CC)CC
InChIInChI=1S/C17H22O/c1-5-13-11-15-16(12-14(13)6-2)18-10-9-17(15,7-3)8-4/h1,11-12H,6-10H2,2-4H3
InChIKeyWYSMHAZJQXRELC-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene?
The IUPAC name of 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene (CID 18322106) is 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene.
What is the SMILES notation for 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene?
The canonical SMILES for 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene is C#Cc1cc2c(cc1CC)OCCC2(CC)CC.
What is the InChIKey of 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene?
The InChIKey is WYSMHAZJQXRELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-5-13-11-15-16(12-14(13)6-2)18-10-9-17(15,7-3)8-4/h1,11-12H,6-10H2,2-4H3.
What are the key properties of 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene?
4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene has a molecular weight of 242.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-triethyl-6-ethynyl-2,3-dihydrochromene is sourced from PubChem (CID 18322106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).