2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane

C46H102 — CID 161468028

IUPAC2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane
SMILESCC(C)(C)C.CC(C)C(C)(C)C.CC(C)CCC(C)C(C)(C)C.CCC(CC(C)C)C(C)(C)C.CCCCCCC(C)C(C)(C)C
InChIInChI=1S/C12H26.2C11H24.C7H16.C5H12/c1-6-7-8-9-10-11(2)12(3,4)5;1-9(2)7-8-10(3)11(4,5)6;1-7-10(8-9(2)3)11(4,5)6;1-6(2)7(3,4)5;1-5(2,3)4/h11H,6-10H2,1-5H3;2*9-10H,7-8H2,1-6H3;6H,1-5H3;1-4H3
InChIKeyWCRUKLPLDPIVMP-UHFFFAOYSA-N
MW655.32 g/mol
LogP17.59
Rot. Bonds11

About 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane

2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane (PubChem CID 161468028) has the molecular formula C46H102 and a molecular weight of 655.32 g/mol. Its IUPAC name is 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane.

Molecular Properties

Compound Name2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane
PubChem CID161468028
Molecular FormulaC46H102
Molecular Weight655.32 g/mol
Exact Mass654.80
IUPAC Name2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane
SMILESCC(C)(C)C.CC(C)C(C)(C)C.CC(C)CCC(C)C(C)(C)C.CCC(CC(C)C)C(C)(C)C.CCCCCCC(C)C(C)(C)C
InChIInChI=1S/C12H26.2C11H24.C7H16.C5H12/c1-6-7-8-9-10-11(2)12(3,4)5;1-9(2)7-8-10(3)11(4,5)6;1-7-10(8-9(2)3)11(4,5)6;1-6(2)7(3,4)5;1-5(2,3)4/h11H,6-10H2,1-5H3;2*9-10H,7-8H2,1-6H3;6H,1-5H3;1-4H3
InChIKeyWCRUKLPLDPIVMP-UHFFFAOYSA-N
XLogP17.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.32
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane 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

2,2,3-trimethylundecane
CID 21285055
ethane;3-ethyl-2,2-dimethylheptane;methane;2,6,9,9-tetramethyldec-2-ene;2,6,9-trimethyldec-2-ene;2,2,3-trimethylheptane;2,2,4-trimethyloctane;2,2,3-trimethyltridecane
CID 159438478
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
9-tert-butylhenicosane
CID 150708915
5-tert-butyldecane;4-tert-butyl-2,6-dimethylheptane;9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane
CID 157410601
2,3,3,4-tetramethylnonadecane
CID 174953704
2,2,3,10-tetramethyldodecane
CID 123238890
6-tert-butylundecane
CID 90714582
3-ethyl-2,2-dimethylheptane
CID 20686447
2-methylbutane;2-methyltridecane
CID 54106775
3-ethyl-2-methylnonan-2-amine
CID 175488413
2-methylpentaoctacontane
CID 90745672

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane?
The IUPAC name of 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane (CID 161468028) is 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane.
What is the SMILES notation for 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane?
The canonical SMILES for 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane is CC(C)(C)C.CC(C)C(C)(C)C.CC(C)CCC(C)C(C)(C)C.CCC(CC(C)C)C(C)(C)C.CCCCCCC(C)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane?
The InChIKey is WCRUKLPLDPIVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.2C11H24.C7H16.C5H12/c1-6-7-8-9-10-11(2)12(3,4)5;1-9(2)7-8-10(3)11(4,5)6;1-7-10(8-9(2)3)11(4,5)6;1-6(2)7(3,4)5;1-5(2,3)4/h11H,6-10H2,1-5H3;2*9-10H,7-8H2,1-6H3;6H,1-5H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane?
2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane has a molecular weight of 655.32 g/mol, XLogP of 17.59, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;3-ethyl-2,2,5-trimethylhexane;2,2,3,6-tetramethylheptane;2,2,3-trimethylbutane;2,2,3-trimethylnonane is sourced from PubChem (CID 161468028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).