2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane

C53H116 — CID 167619749

IUPAC2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane
SMILESCC(C)(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C1CCCC1.CC(C1CC1)C(C)(C)C.CCC(C)(C)C.CCC(C)C(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/C9H18.C8H16.2C8H18.2C7H16.C6H14/c1-7(8-5-6-8)9(2,3)4;1-7(2)8-5-3-4-6-8;1-7(2,3)8(4,5)6;1-6-7(2)8(3,4)5;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4/h7-8H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;1-6H3;7H,6H2,1-5H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3
InChIKeyMGQUVKLAWZHISE-UHFFFAOYSA-N
MW753.51 g/mol
LogP20.03
Rot. Bonds4

About 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane

2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane (PubChem CID 167619749) has the molecular formula C53H116 and a molecular weight of 753.51 g/mol. Its IUPAC name is 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane.

Molecular Properties

Compound Name2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane
PubChem CID167619749
Molecular FormulaC53H116
Molecular Weight753.51 g/mol
Exact Mass752.91
IUPAC Name2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane
SMILESCC(C)(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C1CCCC1.CC(C1CC1)C(C)(C)C.CCC(C)(C)C.CCC(C)C(C)(C)C.CCCC(C)(C)C
InChIInChI=1S/C9H18.C8H16.2C8H18.2C7H16.C6H14/c1-7(8-5-6-8)9(2,3)4;1-7(2)8-5-3-4-6-8;1-7(2,3)8(4,5)6;1-6-7(2)8(3,4)5;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4/h7-8H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;1-6H3;7H,6H2,1-5H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3
InChIKeyMGQUVKLAWZHISE-UHFFFAOYSA-N
XLogP20.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.51
LogP ≤ 520.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane 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

ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;methane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
CID 159604083
3,3-dimethylbutan-2-ylcyclopropane
CID 13275215
3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane
CID 158705525
propane;propan-2-ylcyclopentane
CID 91615250
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
3,5,6,6-tetramethylheptan-2-ylcyclobutane
CID 123690991
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane
CID 160935897
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
CID 114981190
4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine
CID 71102045

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane?
The IUPAC name of 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane (CID 167619749) is 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane.
What is the SMILES notation for 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane?
The canonical SMILES for 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane is CC(C)(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C1CCCC1.CC(C1CC1)C(C)(C)C.CCC(C)(C)C.CCC(C)C(C)(C)C.CCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane?
The InChIKey is MGQUVKLAWZHISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H16.2C8H18.2C7H16.C6H14/c1-7(8-5-6-8)9(2,3)4;1-7(2)8-5-3-4-6-8;1-7(2,3)8(4,5)6;1-6-7(2)8(3,4)5;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4/h7-8H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;1-6H3;7H,6H2,1-5H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3.
What are the key properties of 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane?
2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane has a molecular weight of 753.51 g/mol, XLogP of 20.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentane;propan-2-ylcyclopentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane is sourced from PubChem (CID 167619749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).