2,2-dimethylbutane;2-methylbutane;pentane

C16H38 — CID 158103656

IUPAC2,2-dimethylbutane;2-methylbutane;pentane
SMILESCCC(C)(C)C.CCC(C)C.CCCCC
InChIInChI=1S/C6H14.2C5H12/c1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2/h5H2,1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3
InChIKeyFPONDWKJBMBNEO-UHFFFAOYSA-N
MW230.48 g/mol
LogP6.69
Rot. Bonds3

About 2,2-dimethylbutane;2-methylbutane;pentane

2,2-dimethylbutane;2-methylbutane;pentane (PubChem CID 158103656) has the molecular formula C16H38 and a molecular weight of 230.48 g/mol. Its IUPAC name is 2,2-dimethylbutane;2-methylbutane;pentane.

Molecular Properties

Compound Name2,2-dimethylbutane;2-methylbutane;pentane
PubChem CID158103656
Molecular FormulaC16H38
Molecular Weight230.48 g/mol
Exact Mass230.30
IUPAC Name2,2-dimethylbutane;2-methylbutane;pentane
SMILESCCC(C)(C)C.CCC(C)C.CCCCC
InChIInChI=1S/C6H14.2C5H12/c1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2/h5H2,1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3
InChIKeyFPONDWKJBMBNEO-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;2,2-dimethylbutane;hexane;methane;2-methylbutane;2-methylpentane;pentane
CID 160670353
hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane
CID 161338456
N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane
CID 144528307
pentacontane;2,2,4-trimethylpentane
CID 174882537
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
2,4-dimethylpentane;pentane
CID 161023213
3,3-dimethylpentane;2-methylhexane
CID 158289309
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
methane;2-methylbutane;2-methylhexane
CID 167665387

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;2-methylbutane;pentane?
The IUPAC name of 2,2-dimethylbutane;2-methylbutane;pentane (CID 158103656) is 2,2-dimethylbutane;2-methylbutane;pentane.
What is the SMILES notation for 2,2-dimethylbutane;2-methylbutane;pentane?
The canonical SMILES for 2,2-dimethylbutane;2-methylbutane;pentane is CCC(C)(C)C.CCC(C)C.CCCCC.
What is the InChIKey of 2,2-dimethylbutane;2-methylbutane;pentane?
The InChIKey is FPONDWKJBMBNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C5H12/c1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2/h5H2,1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3.
What are the key properties of 2,2-dimethylbutane;2-methylbutane;pentane?
2,2-dimethylbutane;2-methylbutane;pentane has a molecular weight of 230.48 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;2-methylbutane;pentane is sourced from PubChem (CID 158103656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).