ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide

C16H23N3O2 — CID 143066121

IUPACethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide
SMILESCC.Cc1cc(C(=O)N=[N+]=[N-])cc2c1OC(C)(C)CC2C
InChIInChI=1S/C14H17N3O2.C2H6/c1-8-5-10(13(18)16-17-15)6-11-9(2)7-14(3,4)19-12(8)11;1-2/h5-6,9H,7H2,1-4H3;1-2H3
InChIKeyWFPOXQAZOCXFQA-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.14
Rot. Bonds1

About ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide

ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide (PubChem CID 143066121) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide.

Molecular Properties

Compound Nameethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide
PubChem CID143066121
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nameethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide
SMILESCC.Cc1cc(C(=O)N=[N+]=[N-])cc2c1OC(C)(C)CC2C
InChIInChI=1S/C14H17N3O2.C2H6/c1-8-5-10(13(18)16-17-15)6-11-9(2)7-14(3,4)19-12(8)11;1-2/h5-6,9H,7H2,1-4H3;1-2H3
InChIKeyWFPOXQAZOCXFQA-UHFFFAOYSA-N
XLogP5.14
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-6-ethynyl-2,2,4-trimethyl-3,4-dihydrochromene
CID 143065749
5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide
CID 58934310
2,2,4-trimethyl-3,4-dihydrochromene-6,7-diol
CID 45093087
2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile
CID 82078660
7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
CID 154982719
4-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
(1S,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene-3-carbonyl azide
CID 134875238
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
2,2,8-trimethyl-4H-1,3-benzodioxine-6-carboxylic acid
CID 86725233
4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine
CID 15582078
6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine
CID 81482096
4-ethylbenzoyl azide
CID 43307154

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide?
The IUPAC name of ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide (CID 143066121) is ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide.
What is the SMILES notation for ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide?
The canonical SMILES for ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide is CC.Cc1cc(C(=O)N=[N+]=[N-])cc2c1OC(C)(C)CC2C.
What is the InChIKey of ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide?
The InChIKey is WFPOXQAZOCXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.C2H6/c1-8-5-10(13(18)16-17-15)6-11-9(2)7-14(3,4)19-12(8)11;1-2/h5-6,9H,7H2,1-4H3;1-2H3.
What are the key properties of ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide?
ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide has a molecular weight of 289.38 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4,8-tetramethyl-3,4-dihydrochromene-6-carbonyl azide is sourced from PubChem (CID 143066121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).