3-methylidenehexane

C7H14 — CID 520668

IUPAC3-methylidenehexane
SMILESC=C(CC)CCC
InChIInChI=1S/C7H14/c1-4-6-7(3)5-2/h3-6H2,1-2H3
InChIKeyTWCRBBJSQAZZQB-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.75
Rot. Bonds3

About 3-methylidenehexane

3-methylidenehexane (PubChem CID 520668) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 3-methylidenehexane.

Molecular Properties

Compound Name3-methylidenehexane
PubChem CID520668
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name3-methylidenehexane
SMILESC=C(CC)CCC
InChIInChI=1S/C7H14/c1-4-6-7(3)5-2/h3-6H2,1-2H3
InChIKeyTWCRBBJSQAZZQB-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.75
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 3-methylidenehexane?
The IUPAC name of 3-methylidenehexane (CID 520668) is 3-methylidenehexane.
What is the SMILES notation for 3-methylidenehexane?
The canonical SMILES for 3-methylidenehexane is C=C(CC)CCC.
What is the InChIKey of 3-methylidenehexane?
The InChIKey is TWCRBBJSQAZZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-4-6-7(3)5-2/h3-6H2,1-2H3.
What are the key properties of 3-methylidenehexane?
3-methylidenehexane has a molecular weight of 98.19 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenehexane is sourced from PubChem (CID 520668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).