ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene

C16H28 — CID 143924676

IUPACethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene
SMILESC1=C2CCCCCC2=CC2CC12.CC.CC
InChIInChI=1S/C12H16.2C2H6/c1-2-4-9-6-11-8-12(11)7-10(9)5-3-1;2*1-2/h6-7,11-12H,1-5,8H2;2*1-2H3
InChIKeyWNTQHMIXKKCREJ-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.51
Rot. Bonds

About ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene

ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene (PubChem CID 143924676) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene.

Molecular Properties

Compound Nameethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene
PubChem CID143924676
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene
SMILESC1=C2CCCCCC2=CC2CC12.CC.CC
InChIInChI=1S/C12H16.2C2H6/c1-2-4-9-6-11-8-12(11)7-10(9)5-3-1;2*1-2/h6-7,11-12H,1-5,8H2;2*1-2H3
InChIKeyWNTQHMIXKKCREJ-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;4-methyl-1a,3,4,5,6,7a-hexahydro-1H-cyclopropa[b]naphthalene
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1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane
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10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene
CID 91198196
1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole
CID 144947823
6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene
CID 14691568
2-methyl-4,5a,6,6a-tetrahydro-3H-cyclopropa[g]isoquinolin-1-one
CID 171506764
dimethyl-bis(3-methyl-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)silane
CID 54038716
ethyl-dimethyl-(4,5,6,7-tetrahydro-2H-inden-2-ylmethyl)silane
CID 56988201
1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-ylmethyl(trimethyl)silane
CID 153422187
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940

Frequently Asked Questions

What is the IUPAC name of ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene?
The IUPAC name of ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene (CID 143924676) is ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene.
What is the SMILES notation for ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene?
The canonical SMILES for ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene is C1=C2CCCCCC2=CC2CC12.CC.CC.
What is the InChIKey of ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene?
The InChIKey is WNTQHMIXKKCREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.2C2H6/c1-2-4-9-6-11-8-12(11)7-10(9)5-3-1;2*1-2/h6-7,11-12H,1-5,8H2;2*1-2H3.
What are the key properties of ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene?
ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene has a molecular weight of 220.40 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tricyclo[5.5.0.03,5]dodeca-1,6-diene is sourced from PubChem (CID 143924676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).