8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene

C16H20O — CID 143065749

IUPAC8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene
SMILESC#Cc1cc(CC)c2c(c1)C(C)CC(C)(C)O2
InChIInChI=1S/C16H20O/c1-6-12-8-13(7-2)15-14(9-12)11(3)10-16(4,5)17-15/h1,8-9,11H,7,10H2,2-5H3
InChIKeyAQSWVZKXGZJHJM-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.89
Rot. Bonds1

About 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene

8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene (PubChem CID 143065749) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene
PubChem CID143065749
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene
SMILESC#Cc1cc(CC)c2c(c1)C(C)CC(C)(C)O2
InChIInChI=1S/C16H20O/c1-6-12-8-13(7-2)15-14(9-12)11(3)10-16(4,5)17-15/h1,8-9,11H,7,10H2,2-5H3
InChIKeyAQSWVZKXGZJHJM-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
CID 154982719
2,2,4-trimethyl-3,4-dihydrochromene-6,7-diol
CID 45093087
ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide
CID 143066121
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene
CID 19787623
1-(6-ethynyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidin-2-one
CID 175637835
7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
CID 70639080
6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene
CID 45255786
N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide
CID 21257101
6-[2-(4-ethylphenyl)ethynyl]-8-ethynyl-2,2,4,4-tetramethyl-3H-chromene
CID 59692067
6-ethyl-N,8-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667337
N,6-diethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667295

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene?
The IUPAC name of 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene (CID 143065749) is 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene.
What is the SMILES notation for 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene?
The canonical SMILES for 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene is C#Cc1cc(CC)c2c(c1)C(C)CC(C)(C)O2.
What is the InChIKey of 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene?
The InChIKey is AQSWVZKXGZJHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-6-12-8-13(7-2)15-14(9-12)11(3)10-16(4,5)17-15/h1,8-9,11H,7,10H2,2-5H3.
What are the key properties of 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene?
8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene has a molecular weight of 228.33 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene is sourced from PubChem (CID 143065749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).