ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene

C16H28 — CID 144813213

IUPACethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene
SMILESC.CC.CC1=CC(C)(C)C=CC2=C1CCC2
InChIInChI=1S/C13H18.C2H6.CH4/c1-10-9-13(2,3)8-7-11-5-4-6-12(10)11;1-2;/h7-9H,4-6H2,1-3H3;1-2H3;1H4
InChIKeyILAJNPDOHCPXTC-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds

About ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene

ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene (PubChem CID 144813213) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene.

Molecular Properties

Compound Nameethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene
PubChem CID144813213
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene
SMILESC.CC.CC1=CC(C)(C)C=CC2=C1CCC2
InChIInChI=1S/C13H18.C2H6.CH4/c1-10-9-13(2,3)8-7-11-5-4-6-12(10)11;1-2;/h7-9H,4-6H2,1-3H3;1-2H3;1H4
InChIKeyILAJNPDOHCPXTC-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methylbicyclo[3.2.0]hepta-1(5),6-diene
CID 91189897
1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene
CID 13425711
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane
CID 143072426
1,1,3-trimethyl-4,5,6,7-tetrahydroindene
CID 174060691
10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 139569197
ethane;6,6,8-trimethylcyclohepta[b]thiophene
CID 142150730
1-methyl-1-(3,3,6,6,8-pentamethylcycloocta-1,4,7-trien-1-yl)hydrazine
CID 163795963
2-bromo-5,5-dimethylcyclopenta-1,3-diene
CID 10844938
6,6,14,14-tetramethyl-2-azatricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene
CID 145008572
ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
CID 144672111
3-anilinooxy-3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-one
CID 139972425
2-methyl-4,5,6,7-tetrahydroinden-1-one
CID 142636804

Frequently Asked Questions

What is the IUPAC name of ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene?
The IUPAC name of ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene (CID 144813213) is ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene.
What is the SMILES notation for ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene?
The canonical SMILES for ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene is C.CC.CC1=CC(C)(C)C=CC2=C1CCC2.
What is the InChIKey of ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene?
The InChIKey is ILAJNPDOHCPXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C2H6.CH4/c1-10-9-13(2,3)8-7-11-5-4-6-12(10)11;1-2;/h7-9H,4-6H2,1-3H3;1-2H3;1H4.
What are the key properties of ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene?
ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene has a molecular weight of 220.40 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene is sourced from PubChem (CID 144813213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).