2-methyl-3-methylidenehexane

C8H16 — CID 528377

IUPAC2-methyl-3-methylidenehexane
SMILESC=C(CCC)C(C)C
InChIInChI=1S/C8H16/c1-5-6-8(4)7(2)3/h7H,4-6H2,1-3H3
InChIKeyQOUCFWFZPKWYRE-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-3-methylidenehexane

2-methyl-3-methylidenehexane (PubChem CID 528377) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 2-methyl-3-methylidenehexane.

Molecular Properties

Compound Name2-methyl-3-methylidenehexane
PubChem CID528377
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name2-methyl-3-methylidenehexane
SMILESC=C(CCC)C(C)C
InChIInChI=1S/C8H16/c1-5-6-8(4)7(2)3/h7H,4-6H2,1-3H3
InChIKeyQOUCFWFZPKWYRE-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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-methyl-3-methylidenehexane?
The IUPAC name of 2-methyl-3-methylidenehexane (CID 528377) is 2-methyl-3-methylidenehexane.
What is the SMILES notation for 2-methyl-3-methylidenehexane?
The canonical SMILES for 2-methyl-3-methylidenehexane is C=C(CCC)C(C)C.
What is the InChIKey of 2-methyl-3-methylidenehexane?
The InChIKey is QOUCFWFZPKWYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-methylidenehexane?
2-methyl-3-methylidenehexane has a molecular weight of 112.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidenehexane is sourced from PubChem (CID 528377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).