2,2-dimethyl-3-methylidenepentane

C8H16 — CID 519529

IUPAC2,2-dimethyl-3-methylidenepentane
SMILESC=C(CC)C(C)(C)C
InChIInChI=1S/C8H16/c1-6-7(2)8(3,4)5/h2,6H2,1,3-5H3
InChIKeyKQRPZENSXZIOQO-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds1

About 2,2-dimethyl-3-methylidenepentane

2,2-dimethyl-3-methylidenepentane (PubChem CID 519529) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidenepentane.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidenepentane
PubChem CID519529
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name2,2-dimethyl-3-methylidenepentane
SMILESC=C(CC)C(C)(C)C
InChIInChI=1S/C8H16/c1-6-7(2)8(3,4)5/h2,6H2,1,3-5H3
InChIKeyKQRPZENSXZIOQO-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.00
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 2,2-dimethyl-3-methylidenepentane?
The IUPAC name of 2,2-dimethyl-3-methylidenepentane (CID 519529) is 2,2-dimethyl-3-methylidenepentane.
What is the SMILES notation for 2,2-dimethyl-3-methylidenepentane?
The canonical SMILES for 2,2-dimethyl-3-methylidenepentane is C=C(CC)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-methylidenepentane?
The InChIKey is KQRPZENSXZIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h2,6H2,1,3-5H3.
What are the key properties of 2,2-dimethyl-3-methylidenepentane?
2,2-dimethyl-3-methylidenepentane has a molecular weight of 112.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidenepentane is sourced from PubChem (CID 519529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).