5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C19H22 — CID 23525991

IUPAC5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCCc1cc2ccc1CCc1ccc(c(C)c1)CC2
InChIInChI=1S/C19H22/c1-3-17-13-16-5-9-18-8-4-15(12-14(18)2)6-10-19(17)11-7-16/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3
InChIKeySWXAVCKUIXTJFD-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.44
Rot. Bonds1

About 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 23525991) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID23525991
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCCc1cc2ccc1CCc1ccc(c(C)c1)CC2
InChIInChI=1S/C19H22/c1-3-17-13-16-5-9-18-8-4-15(12-14(18)2)6-10-19(17)11-7-16/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3
InChIKeySWXAVCKUIXTJFD-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

13-(ethoxymethyl)-5,11-dimethyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 59762662
5-(bromomethyl)tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene
CID 15184281
2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile
CID 170886247
5,12-dibenzyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 101191154
2-amino-3-(2-bicyclo[2.2.2]octa-1,3,5-trienyl)propanoic acid
CID 164530915
12-(hydroxymethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylic acid
CID 5237651
5-ethylsulfinyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 24828782
[1,1-dideuterio-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethyl] 4-methylbenzenesulfonate
CID 45049109
5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 14921005
N,N-dimethyl-3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propan-1-amine
CID 170865439
5,11-bis[2-(4-nitrophenyl)ethyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 101234801
[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane
CID 11585762

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 23525991) is 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is CCc1cc2ccc1CCc1ccc(c(C)c1)CC2.
What is the InChIKey of 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is SWXAVCKUIXTJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-3-17-13-16-5-9-18-8-4-15(12-14(18)2)6-10-19(17)11-7-16/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3.
What are the key properties of 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 250.38 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-11-methyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 23525991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).