4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane

C36H46 — CID 20681751

IUPAC4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane
SMILESCCCC1CC2(CCC3C4CC5C6C7C8CC9CC%10C%11C%12C3C45C6%12C7%11C98%10)CCC3CC4CC1CC42C3
InChIInChI=1S/C36H46/c1-2-3-17-14-31(6-4-16-8-19-9-18(17)15-32(19,31)13-16)7-5-21-22-12-25-28-27-23-10-20-11-24-29-30-26(21)34(22,25)36(28,30)35(27,29)33(20,23)24/h16-30H,2-15H2,1H3
InChIKeyWGCAEIWXWSVIRH-UHFFFAOYSA-N
MW478.76 g/mol
LogP7.82
Rot. Bonds5

About 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane

4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane (PubChem CID 20681751) has the molecular formula C36H46 and a molecular weight of 478.76 g/mol. Its IUPAC name is 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane.

Molecular Properties

Compound Name4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane
PubChem CID20681751
Molecular FormulaC36H46
Molecular Weight478.76 g/mol
Exact Mass478.36
IUPAC Name4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane
SMILESCCCC1CC2(CCC3C4CC5C6C7C8CC9CC%10C%11C%12C3C45C6%12C7%11C98%10)CCC3CC4CC1CC42C3
InChIInChI=1S/C36H46/c1-2-3-17-14-31(6-4-16-8-19-9-18(17)15-32(19,31)13-16)7-5-21-22-12-25-28-27-23-10-20-11-24-29-30-26(21)34(22,25)36(28,30)35(27,29)33(20,23)24/h16-30H,2-15H2,1H3
InChIKeyWGCAEIWXWSVIRH-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane?
The IUPAC name of 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane (CID 20681751) is 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane.
What is the SMILES notation for 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane?
The canonical SMILES for 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane is CCCC1CC2(CCC3C4CC5C6C7C8CC9CC%10C%11C%12C3C45C6%12C7%11C98%10)CCC3CC4CC1CC42C3.
What is the InChIKey of 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane?
The InChIKey is WGCAEIWXWSVIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46/c1-2-3-17-14-31(6-4-16-8-19-9-18(17)15-32(19,31)13-16)7-5-21-22-12-25-28-27-23-10-20-11-24-29-30-26(21)34(22,25)36(28,30)35(27,29)33(20,23)24/h16-30H,2-15H2,1H3.
What are the key properties of 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane?
4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane has a molecular weight of 478.76 g/mol, XLogP of 7.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane is sourced from PubChem (CID 20681751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).