ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene

C13H18 — CID 91342553

IUPACethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC.c1ccc2c(c1)C1CCC2C1
InChIInChI=1S/C11H12.C2H6/c1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2/h1-4,8-9H,5-7H2;1-2H3
InChIKeyARSFHVSGXFHZIC-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.08
Rot. Bonds

About ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene

ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 91342553) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Nameethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID91342553
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Nameethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC.c1ccc2c(c1)C1CCC2C1
InChIInChI=1S/C11H12.C2H6/c1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2/h1-4,8-9H,5-7H2;1-2H3
InChIKeyARSFHVSGXFHZIC-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
CID 144567672
8-tert-butyltetracyclo[13.1.1.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene
CID 155609294
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 11232816
10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene
CID 59518921
(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione
CID 98557806
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene
CID 139082581
3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane
CID 150333086
(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine
CID 131028254
(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 135034885
10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 166495075

Frequently Asked Questions

What is the IUPAC name of ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 91342553) is ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene is CC.c1ccc2c(c1)C1CCC2C1.
What is the InChIKey of ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is ARSFHVSGXFHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.C2H6/c1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2/h1-4,8-9H,5-7H2;1-2H3.
What are the key properties of ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene?
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 174.29 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 91342553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).