2,4-dimethyl-3-methylidenehexane

C9H18 — CID 90734956

IUPAC2,4-dimethyl-3-methylidenehexane
SMILESC=C(C(C)C)C(C)CC
InChIInChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyLREHZSYYNKLHTD-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.24
Rot. Bonds3

About 2,4-dimethyl-3-methylidenehexane

2,4-dimethyl-3-methylidenehexane (PubChem CID 90734956) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 2,4-dimethyl-3-methylidenehexane.

Molecular Properties

Compound Name2,4-dimethyl-3-methylidenehexane
PubChem CID90734956
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name2,4-dimethyl-3-methylidenehexane
SMILESC=C(C(C)C)C(C)CC
InChIInChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyLREHZSYYNKLHTD-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.24
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-methylidenehexane?
The IUPAC name of 2,4-dimethyl-3-methylidenehexane (CID 90734956) is 2,4-dimethyl-3-methylidenehexane.
What is the SMILES notation for 2,4-dimethyl-3-methylidenehexane?
The canonical SMILES for 2,4-dimethyl-3-methylidenehexane is C=C(C(C)C)C(C)CC.
What is the InChIKey of 2,4-dimethyl-3-methylidenehexane?
The InChIKey is LREHZSYYNKLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-methylidenehexane?
2,4-dimethyl-3-methylidenehexane has a molecular weight of 126.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-methylidenehexane is sourced from PubChem (CID 90734956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).