1,3,5,7-tetracyclopentyladamantane

C30H48 — CID 22929208

IUPAC1,3,5,7-tetracyclopentyladamantane
SMILESC1CCC(C23CC4(C5CCCC5)CC(C5CCCC5)(C2)CC(C2CCCC2)(C3)C4)C1
InChIInChI=1S/C30H48/c1-2-10-23(9-1)27-17-28(24-11-3-4-12-24)20-29(18-27,25-13-5-6-14-25)22-30(19-27,21-28)26-15-7-8-16-26/h23-26H,1-22H2
InChIKeyXRYWYUYEPKGULC-UHFFFAOYSA-N
MW408.71 g/mol
LogP9.07
Rot. Bonds4

About 1,3,5,7-tetracyclopentyladamantane

1,3,5,7-tetracyclopentyladamantane (PubChem CID 22929208) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 1,3,5,7-tetracyclopentyladamantane.

Molecular Properties

Compound Name1,3,5,7-tetracyclopentyladamantane
PubChem CID22929208
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name1,3,5,7-tetracyclopentyladamantane
SMILESC1CCC(C23CC4(C5CCCC5)CC(C5CCCC5)(C2)CC(C2CCCC2)(C3)C4)C1
InChIInChI=1S/C30H48/c1-2-10-23(9-1)27-17-28(24-11-3-4-12-24)20-29(18-27,25-13-5-6-14-25)22-30(19-27,21-28)26-15-7-8-16-26/h23-26H,1-22H2
InChIKeyXRYWYUYEPKGULC-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 165485494
1-cyclopentyl-2,2-dimethylcyclopropan-1-amine
CID 83682013
1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
CID 151791002
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
N-(3-cyclopentyl-1-bicyclo[1.1.1]pentanyl)-3-methylbutanamide
CID 176804022
(1-cyclopropylcyclopropyl)cyclopentane
CID 57169070
1-cycloheptyl-2-methylcyclohexane-1,2-diamine
CID 129213673
1,1-di(cyclooctyl)cyclooctane
CID 23107007
bis(1-cyclooctylcyclooctyl)azaniumylideneazanide
CID 18630094
1-cyclopentyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961137
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
(1-cyclopentylcyclopentyl)silane
CID 174790060

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetracyclopentyladamantane?
The IUPAC name of 1,3,5,7-tetracyclopentyladamantane (CID 22929208) is 1,3,5,7-tetracyclopentyladamantane.
What is the SMILES notation for 1,3,5,7-tetracyclopentyladamantane?
The canonical SMILES for 1,3,5,7-tetracyclopentyladamantane is C1CCC(C23CC4(C5CCCC5)CC(C5CCCC5)(C2)CC(C2CCCC2)(C3)C4)C1.
What is the InChIKey of 1,3,5,7-tetracyclopentyladamantane?
The InChIKey is XRYWYUYEPKGULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48/c1-2-10-23(9-1)27-17-28(24-11-3-4-12-24)20-29(18-27,25-13-5-6-14-25)22-30(19-27,21-28)26-15-7-8-16-26/h23-26H,1-22H2.
What are the key properties of 1,3,5,7-tetracyclopentyladamantane?
1,3,5,7-tetracyclopentyladamantane has a molecular weight of 408.71 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetracyclopentyladamantane is sourced from PubChem (CID 22929208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).