15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane

C25H30 — CID 167484288

IUPAC15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane
SMILESCC.CC1(C)C2=CCC=CC=C2C2=C1C=CCC=C2C1=CCCC=C1
InChIInChI=1S/C23H24.C2H6/c1-23(2)20-15-8-4-7-14-19(20)22-18(13-9-10-16-21(22)23)17-11-5-3-6-12-17;1-2/h4-5,7,10-16H,3,6,8-9H2,1-2H3;1-2H3
InChIKeyPWFUJSYPKOEGPI-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.32
Rot. Bonds1

About 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane

15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane (PubChem CID 167484288) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane.

Molecular Properties

Compound Name15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane
PubChem CID167484288
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane
SMILESCC.CC1(C)C2=CCC=CC=C2C2=C1C=CCC=C2C1=CCCC=C1
InChIInChI=1S/C23H24.C2H6/c1-23(2)20-15-8-4-7-14-19(20)22-18(13-9-10-16-21(22)23)17-11-5-3-6-12-17;1-2/h4-5,7,10-16H,3,6,8-9H2,1-2H3;1-2H3
InChIKeyPWFUJSYPKOEGPI-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane?
The IUPAC name of 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane (CID 167484288) is 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane.
What is the SMILES notation for 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane?
The canonical SMILES for 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane is CC.CC1(C)C2=CCC=CC=C2C2=C1C=CCC=C2C1=CCCC=C1.
What is the InChIKey of 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane?
The InChIKey is PWFUJSYPKOEGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24.C2H6/c1-23(2)20-15-8-4-7-14-19(20)22-18(13-9-10-16-21(22)23)17-11-5-3-6-12-17;1-2/h4-5,7,10-16H,3,6,8-9H2,1-2H3;1-2H3.
What are the key properties of 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane?
15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane has a molecular weight of 330.52 g/mol, XLogP of 7.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane is sourced from PubChem (CID 167484288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).