tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate

C30H64F2O — CID 162282781

IUPACtert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate
SMILESC1CCCC1.C1CCCC1.CC.CC.CC(C)(C)C1CCCC1.CC(F)(F)C1CCCC1.O
InChIInChI=1S/C9H18.C7H12F2.2C5H10.2C2H6.H2O/c1-9(2,3)8-6-4-5-7-8;1-7(8,9)6-4-2-3-5-6;2*1-2-4-5-3-1;2*1-2;/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;2*1-5H2;2*1-2H3;1H2
InChIKeyPSPHWVFSSVMGNK-UHFFFAOYSA-N
MW478.84 g/mol
LogP11.18
Rot. Bonds1

About tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate

tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate (PubChem CID 162282781) has the molecular formula C30H64F2O and a molecular weight of 478.84 g/mol. Its IUPAC name is tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate.

Molecular Properties

Compound Nametert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate
PubChem CID162282781
Molecular FormulaC30H64F2O
Molecular Weight478.84 g/mol
Exact Mass478.49
IUPAC Nametert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate
SMILESC1CCCC1.C1CCCC1.CC.CC.CC(C)(C)C1CCCC1.CC(F)(F)C1CCCC1.O
InChIInChI=1S/C9H18.C7H12F2.2C5H10.2C2H6.H2O/c1-9(2,3)8-6-4-5-7-8;1-7(8,9)6-4-2-3-5-6;2*1-2-4-5-3-1;2*1-2;/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;2*1-5H2;2*1-2H3;1H2
InChIKeyPSPHWVFSSVMGNK-UHFFFAOYSA-N
XLogP11.18
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.84
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate 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 tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate?
The IUPAC name of tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate (CID 162282781) is tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate.
What is the SMILES notation for tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate?
The canonical SMILES for tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate is C1CCCC1.C1CCCC1.CC.CC.CC(C)(C)C1CCCC1.CC(F)(F)C1CCCC1.O.
What is the InChIKey of tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate?
The InChIKey is PSPHWVFSSVMGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C7H12F2.2C5H10.2C2H6.H2O/c1-9(2,3)8-6-4-5-7-8;1-7(8,9)6-4-2-3-5-6;2*1-2-4-5-3-1;2*1-2;/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;2*1-5H2;2*1-2H3;1H2.
What are the key properties of tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate?
tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate has a molecular weight of 478.84 g/mol, XLogP of 11.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate is sourced from PubChem (CID 162282781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).