2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene

C13H24 — CID 91326537

IUPAC2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene
SMILESC=C(C)CC(CC(=C)C)CC(C)C
InChIInChI=1S/C13H24/c1-10(2)7-13(8-11(3)4)9-12(5)6/h12-13H,1,3,7-9H2,2,4-6H3
InChIKeyRYEMTHZLTQBHBN-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds6

About 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene

2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene (PubChem CID 91326537) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene
PubChem CID91326537
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene
SMILESC=C(C)CC(CC(=C)C)CC(C)C
InChIInChI=1S/C13H24/c1-10(2)7-13(8-11(3)4)9-12(5)6/h12-13H,1,3,7-9H2,2,4-6H3
InChIKeyRYEMTHZLTQBHBN-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
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 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene?
The IUPAC name of 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene (CID 91326537) is 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene?
The canonical SMILES for 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene is C=C(C)CC(CC(=C)C)CC(C)C.
What is the InChIKey of 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene?
The InChIKey is RYEMTHZLTQBHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)7-13(8-11(3)4)9-12(5)6/h12-13H,1,3,7-9H2,2,4-6H3.
What are the key properties of 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene?
2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene has a molecular weight of 180.33 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylpropyl)hepta-1,6-diene is sourced from PubChem (CID 91326537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).