ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

C23H26 — CID 123798005

IUPACethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
SMILESCC.CC.c1ccc2c(c1)CC1=C2CC2=C1Cc1ccccc12
InChIInChI=1S/C19H14.2C2H6/c1-3-7-14-12(5-1)9-16-17-10-13-6-2-4-8-15(13)19(17)11-18(14)16;2*1-2/h1-8H,9-11H2;2*1-2H3
InChIKeyUHEISDRHLKRNHK-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.46
Rot. Bonds

About ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (PubChem CID 123798005) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.

Molecular Properties

Compound Nameethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
PubChem CID123798005
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Nameethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
SMILESCC.CC.c1ccc2c(c1)CC1=C2CC2=C1Cc1ccccc12
InChIInChI=1S/C19H14.2C2H6/c1-3-7-14-12(5-1)9-16-17-10-13-6-2-4-8-15(13)19(17)11-18(14)16;2*1-2/h1-8H,9-11H2;2*1-2H3
InChIKeyUHEISDRHLKRNHK-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The IUPAC name of ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (CID 123798005) is ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.
What is the SMILES notation for ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The canonical SMILES for ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is CC.CC.c1ccc2c(c1)CC1=C2CC2=C1Cc1ccccc12.
What is the InChIKey of ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
The InChIKey is UHEISDRHLKRNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14.2C2H6/c1-3-7-14-12(5-1)9-16-17-10-13-6-2-4-8-15(13)19(17)11-18(14)16;2*1-2/h1-8H,9-11H2;2*1-2H3.
What are the key properties of ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?
ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene has a molecular weight of 302.46 g/mol, XLogP of 6.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is sourced from PubChem (CID 123798005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).