2,4-dimethyl-3-methylidenepentane

C8H16 — CID 528376

IUPAC2,4-dimethyl-3-methylidenepentane
SMILESC=C(C(C)C)C(C)C
InChIInChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6-7H,5H2,1-4H3
InChIKeyGIBPFTYFAOOKOV-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.85
Rot. Bonds2

About 2,4-dimethyl-3-methylidenepentane

2,4-dimethyl-3-methylidenepentane (PubChem CID 528376) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 2,4-dimethyl-3-methylidenepentane.

Molecular Properties

Compound Name2,4-dimethyl-3-methylidenepentane
PubChem CID528376
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name2,4-dimethyl-3-methylidenepentane
SMILESC=C(C(C)C)C(C)C
InChIInChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6-7H,5H2,1-4H3
InChIKeyGIBPFTYFAOOKOV-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-methylidenepentane?
The IUPAC name of 2,4-dimethyl-3-methylidenepentane (CID 528376) is 2,4-dimethyl-3-methylidenepentane.
What is the SMILES notation for 2,4-dimethyl-3-methylidenepentane?
The canonical SMILES for 2,4-dimethyl-3-methylidenepentane is C=C(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-methylidenepentane?
The InChIKey is GIBPFTYFAOOKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-methylidenepentane?
2,4-dimethyl-3-methylidenepentane has a molecular weight of 112.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-methylidenepentane is sourced from PubChem (CID 528376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).