undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane

C19H18 — CID 174088703

IUPACundecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane
SMILESC1C2C3CC4C5C6CC7CC89CC%10C1C21C34C5(C768)C%1091
InChIInChI=1S/C19H18/c1-6-4-14-5-12-9-2-7-8-3-11-13-10(1)15(6,14)19(13)17(8,11)16(7,9)18(12,14)19/h6-13H,1-5H2
InChIKeyIAAISXNWRVZVTH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.93
Rot. Bonds

About undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane

undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane (PubChem CID 174088703) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane.

Molecular Properties

Compound Nameundecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane
PubChem CID174088703
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Nameundecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane
SMILESC1C2C3CC4C5C6CC7CC89CC%10C1C21C34C5(C768)C%1091
InChIInChI=1S/C19H18/c1-6-4-14-5-12-9-2-7-8-3-11-13-10(1)15(6,14)19(13)17(8,11)16(7,9)18(12,14)19/h6-13H,1-5H2
InChIKeyIAAISXNWRVZVTH-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane 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 undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane?
The IUPAC name of undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane (CID 174088703) is undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane.
What is the SMILES notation for undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane?
The canonical SMILES for undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane is C1C2C3CC4C5C6CC7CC89CC%10C1C21C34C5(C768)C%1091.
What is the InChIKey of undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane?
The InChIKey is IAAISXNWRVZVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-6-4-14-5-12-9-2-7-8-3-11-13-10(1)15(6,14)19(13)17(8,11)16(7,9)18(12,14)19/h6-13H,1-5H2.
What are the key properties of undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane?
undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane has a molecular weight of 246.35 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecacyclo[9.7.1.01,14.02,7.02,9.03,6.03,18.04,17.09,19.013,19.015,18]nonadecane is sourced from PubChem (CID 174088703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).