cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane

C41H44 — CID 158465043

IUPACcyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane
SMILESC1C2CC3C4C5C6C7C8C9C%10C%11CC%12CC%13C%14C%15C%16C%17C%18C%19C%20C1C23C%204C%195C%186C%177C%168C%159C%14%10C%12%13%11.C1CCC1.C1CCC1
InChIInChI=1S/C33H28.2C4H8/c1-5-2-8-12-16-20-24-22-18-14-10-4-6-3-9-13-17-21-23-19-15-11-7(1)25(5,8)27(11,12)29(15,16)31(19,20)33(23,24)32(21,22)30(17,18)28(13,14)26(6,9)10;2*1-2-4-3-1/h5-24H,1-4H2;2*1-4H2
InChIKeyHFQPATKURJDSBI-UHFFFAOYSA-N
MW536.80 g/mol
LogP7.14
Rot. Bonds

About cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane

cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane (PubChem CID 158465043) has the molecular formula C41H44 and a molecular weight of 536.80 g/mol. Its IUPAC name is cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane.

Molecular Properties

Compound Namecyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane
PubChem CID158465043
Molecular FormulaC41H44
Molecular Weight536.80 g/mol
Exact Mass536.34
IUPAC Namecyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane
SMILESC1C2CC3C4C5C6C7C8C9C%10C%11CC%12CC%13C%14C%15C%16C%17C%18C%19C%20C1C23C%204C%195C%186C%177C%168C%159C%14%10C%12%13%11.C1CCC1.C1CCC1
InChIInChI=1S/C33H28.2C4H8/c1-5-2-8-12-16-20-24-22-18-14-10-4-6-3-9-13-17-21-23-19-15-11-7(1)25(5,8)27(11,12)29(15,16)31(19,20)33(23,24)32(21,22)30(17,18)28(13,14)26(6,9)10;2*1-2-4-3-1/h5-24H,1-4H2;2*1-4H2
InChIKeyHFQPATKURJDSBI-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.80
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane 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 cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane?
The IUPAC name of cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane (CID 158465043) is cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane.
What is the SMILES notation for cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane?
The canonical SMILES for cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane is C1C2CC3C4C5C6C7C8C9C%10C%11CC%12CC%13C%14C%15C%16C%17C%18C%19C%20C1C23C%204C%195C%186C%177C%168C%159C%14%10C%12%13%11.C1CCC1.C1CCC1.
What is the InChIKey of cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane?
The InChIKey is HFQPATKURJDSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28.2C4H8/c1-5-2-8-12-16-20-24-22-18-14-10-4-6-3-9-13-17-21-23-19-15-11-7(1)25(5,8)27(11,12)29(15,16)31(19,20)33(23,24)32(21,22)30(17,18)28(13,14)26(6,9)10;2*1-2-4-3-1/h5-24H,1-4H2;2*1-4H2.
What are the key properties of cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane?
cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane has a molecular weight of 536.80 g/mol, XLogP of 7.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane is sourced from PubChem (CID 158465043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).