[1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane

C43H74 — CID 174098717

IUPAC[1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane
SMILESC1CCC(CC(C2CCCC2)C(C(CC2CCCC2)C2CCCC2)C(CC2CCCC2)(CC2CCCC2)C2CCCC2)C1
InChIInChI=1S/C43H74/c1-2-16-33(15-1)29-40(37-23-9-10-24-37)42(41(38-25-11-12-26-38)30-34-17-3-4-18-34)43(39-27-13-14-28-39,31-35-19-5-6-20-35)32-36-21-7-8-22-36/h33-42H,1-32H2
InChIKeyYDPBBXWHSYINSK-UHFFFAOYSA-N
MW591.07 g/mol
LogP13.71
Rot. Bonds14

About [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane

[1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane (PubChem CID 174098717) has the molecular formula C43H74 and a molecular weight of 591.07 g/mol. Its IUPAC name is [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane
PubChem CID174098717
Molecular FormulaC43H74
Molecular Weight591.07 g/mol
Exact Mass590.58
IUPAC Name[1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane
SMILESC1CCC(CC(C2CCCC2)C(C(CC2CCCC2)C2CCCC2)C(CC2CCCC2)(CC2CCCC2)C2CCCC2)C1
InChIInChI=1S/C43H74/c1-2-16-33(15-1)29-40(37-23-9-10-24-37)42(41(38-25-11-12-26-38)30-34-17-3-4-18-34)43(39-27-13-14-28-39,31-35-19-5-6-20-35)32-36-21-7-8-22-36/h33-42H,1-32H2
InChIKeyYDPBBXWHSYINSK-UHFFFAOYSA-N
XLogP13.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.07
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane 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 [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane?
The IUPAC name of [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane (CID 174098717) is [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane.
What is the SMILES notation for [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane?
The canonical SMILES for [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane is C1CCC(CC(C2CCCC2)C(C(CC2CCCC2)C2CCCC2)C(CC2CCCC2)(CC2CCCC2)C2CCCC2)C1.
What is the InChIKey of [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane?
The InChIKey is YDPBBXWHSYINSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H74/c1-2-16-33(15-1)29-40(37-23-9-10-24-37)42(41(38-25-11-12-26-38)30-34-17-3-4-18-34)43(39-27-13-14-28-39,31-35-19-5-6-20-35)32-36-21-7-8-22-36/h33-42H,1-32H2.
What are the key properties of [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane?
[1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane has a molecular weight of 591.07 g/mol, XLogP of 13.71, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4,5-tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane is sourced from PubChem (CID 174098717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).