(1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene

C20H26 — CID 139809709

IUPAC(1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene
SMILESCC/C1=C2\CCC(CC)C\C2=C\Cc2ccccc2C1
InChIInChI=1S/C20H26/c1-3-15-9-12-20-16(4-2)14-18-8-6-5-7-17(18)10-11-19(20)13-15/h5-8,11,15H,3-4,9-10,12-14H2,1-2H3/b19-11-,20-16-
InChIKeyHCOKTMVQOYNHBD-OJRHGFLZSA-N
MW266.43 g/mol
LogP5.63
Rot. Bonds2

About (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene

(1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene (PubChem CID 139809709) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene.

Molecular Properties

Compound Name(1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene
PubChem CID139809709
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name(1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene
SMILESCC/C1=C2\CCC(CC)C\C2=C\Cc2ccccc2C1
InChIInChI=1S/C20H26/c1-3-15-9-12-20-16(4-2)14-18-8-6-5-7-17(18)10-11-19(20)13-15/h5-8,11,15H,3-4,9-10,12-14H2,1-2H3/b19-11-,20-16-
InChIKeyHCOKTMVQOYNHBD-OJRHGFLZSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene with MolForge

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Related Compounds

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2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
2-benzylidene-4-ethylcyclohexan-1-one
CID 68642982
4-ethyl-2-phenylcyclohexan-1-one
CID 156783397
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
difluoromethylbenzene;ethylcyclopropane
CID 157034020
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 104609487
14-benzyl-2,10-diethyl-14-azatricyclo[9.5.0.03,8]hexadeca-1,3,5,7,10-pentaene
CID 11233643
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811

Frequently Asked Questions

What is the IUPAC name of (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene?
The IUPAC name of (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene (CID 139809709) is (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene.
What is the SMILES notation for (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene?
The canonical SMILES for (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene is CC/C1=C2\CCC(CC)C\C2=C\Cc2ccccc2C1.
What is the InChIKey of (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene?
The InChIKey is HCOKTMVQOYNHBD-OJRHGFLZSA-N. The full InChI is InChI=1S/C20H26/c1-3-15-9-12-20-16(4-2)14-18-8-6-5-7-17(18)10-11-19(20)13-15/h5-8,11,15H,3-4,9-10,12-14H2,1-2H3/b19-11-,20-16-.
What are the key properties of (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene?
(1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene has a molecular weight of 266.43 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,11Z)-2,14-diethyltricyclo[10.4.0.04,9]hexadeca-1,4,6,8,11-pentaene is sourced from PubChem (CID 139809709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).