3,3-dimethylpentane

C7H16 — CID 11229

IUPAC3,3-dimethylpentane
SMILESCCC(C)(C)CC
InChIInChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
InChIKeyAEXMKKGTQYQZCS-UHFFFAOYSA-N
MW100.20 g/mol
LogP2.83
Rot. Bonds2

About 3,3-dimethylpentane

3,3-dimethylpentane (PubChem CID 11229) has the molecular formula C7H16 and a molecular weight of 100.20 g/mol. Its IUPAC name is 3,3-dimethylpentane.

Molecular Properties

Compound Name3,3-dimethylpentane
PubChem CID11229
Molecular FormulaC7H16
Molecular Weight100.20 g/mol
Exact Mass100.13
IUPAC Name3,3-dimethylpentane
SMILESCCC(C)(C)CC
InChIInChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
InChIKeyAEXMKKGTQYQZCS-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane?
The IUPAC name of 3,3-dimethylpentane (CID 11229) is 3,3-dimethylpentane.
What is the SMILES notation for 3,3-dimethylpentane?
The canonical SMILES for 3,3-dimethylpentane is CCC(C)(C)CC.
What is the InChIKey of 3,3-dimethylpentane?
The InChIKey is AEXMKKGTQYQZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3.
What are the key properties of 3,3-dimethylpentane?
3,3-dimethylpentane has a molecular weight of 100.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane is sourced from PubChem (CID 11229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).