tetrakis(3,3-dimethylpentane);methane

C36H96 — CID 159658641

IUPACtetrakis(3,3-dimethylpentane);methane
SMILESC.C.C.C.C.C.C.C.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)(C)CC
InChIInChI=1S/4C7H16.8CH4/c4*1-5-7(3,4)6-2;;;;;;;;/h4*5-6H2,1-4H3;8*1H4
InChIKeyMSMRPRVCQWMNJH-UHFFFAOYSA-N
MW529.16 g/mol
LogP16.42
Rot. Bonds8

About tetrakis(3,3-dimethylpentane);methane

tetrakis(3,3-dimethylpentane);methane (PubChem CID 159658641) has the molecular formula C36H96 and a molecular weight of 529.16 g/mol. Its IUPAC name is tetrakis(3,3-dimethylpentane);methane.

Molecular Properties

Compound Nametetrakis(3,3-dimethylpentane);methane
PubChem CID159658641
Molecular FormulaC36H96
Molecular Weight529.16 g/mol
Exact Mass528.75
IUPAC Nametetrakis(3,3-dimethylpentane);methane
SMILESC.C.C.C.C.C.C.C.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)(C)CC
InChIInChI=1S/4C7H16.8CH4/c4*1-5-7(3,4)6-2;;;;;;;;/h4*5-6H2,1-4H3;8*1H4
InChIKeyMSMRPRVCQWMNJH-UHFFFAOYSA-N
XLogP16.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.16
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetrakis(3,3-dimethylpentane);methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
3,3-dimethylpentane;ethane;methanol
CID 144527462
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
3,3-dimethylhexane
CID 11233
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
3,3-dimethylpentane;tris(nitric acid)
CID 173399914

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,3-dimethylpentane);methane?
The IUPAC name of tetrakis(3,3-dimethylpentane);methane (CID 159658641) is tetrakis(3,3-dimethylpentane);methane.
What is the SMILES notation for tetrakis(3,3-dimethylpentane);methane?
The canonical SMILES for tetrakis(3,3-dimethylpentane);methane is C.C.C.C.C.C.C.C.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)(C)CC.
What is the InChIKey of tetrakis(3,3-dimethylpentane);methane?
The InChIKey is MSMRPRVCQWMNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H16.8CH4/c4*1-5-7(3,4)6-2;;;;;;;;/h4*5-6H2,1-4H3;8*1H4.
What are the key properties of tetrakis(3,3-dimethylpentane);methane?
tetrakis(3,3-dimethylpentane);methane has a molecular weight of 529.16 g/mol, XLogP of 16.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,3-dimethylpentane);methane is sourced from PubChem (CID 159658641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).