ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene

C14H28 — CID 143696880

IUPACethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene
SMILESC.CC.CC1CCC2CCCCC=C12
InChIInChI=1S/C11H18.C2H6.CH4/c1-9-7-8-10-5-3-2-4-6-11(9)10;1-2;/h6,9-10H,2-5,7-8H2,1H3;1-2H3;1H4
InChIKeyGNKHDHVJVSNVQR-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds

About ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene

ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene (PubChem CID 143696880) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene.

Molecular Properties

Compound Nameethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene
PubChem CID143696880
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene
SMILESC.CC.CC1CCC2CCCCC=C12
InChIInChI=1S/C11H18.C2H6.CH4/c1-9-7-8-10-5-3-2-4-6-11(9)10;1-2;/h6,9-10H,2-5,7-8H2,1H3;1-2H3;1H4
InChIKeyGNKHDHVJVSNVQR-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene
CID 163748549
3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 90700641
(1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine
CID 150690711
1,7-dimethylcycloheptene
CID 13493194
2-cyclobutyl-6-methylcyclohex-2-en-1-amine
CID 66604382
(2S,4aR)-2-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 141401221
(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 135068428
(1Z)-bicyclo[6.1.0]non-1-ene
CID 5367451
1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene
CID 90750865
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene?
The IUPAC name of ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene (CID 143696880) is ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene.
What is the SMILES notation for ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene?
The canonical SMILES for ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene is C.CC.CC1CCC2CCCCC=C12.
What is the InChIKey of ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene?
The InChIKey is GNKHDHVJVSNVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C2H6.CH4/c1-9-7-8-10-5-3-2-4-6-11(9)10;1-2;/h6,9-10H,2-5,7-8H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene?
ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene is sourced from PubChem (CID 143696880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).