2,6-dimethyl-4-prop-2-enylhepta-1,5-diene

C12H20 — CID 23173905

IUPAC2,6-dimethyl-4-prop-2-enylhepta-1,5-diene
SMILESC=CCC(C=C(C)C)CC(=C)C
InChIInChI=1S/C12H20/c1-6-7-12(8-10(2)3)9-11(4)5/h6,9,12H,1-2,7-8H2,3-5H3
InChIKeyXYWHIKJUHSHKGX-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds5

About 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene

2,6-dimethyl-4-prop-2-enylhepta-1,5-diene (PubChem CID 23173905) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene.

Molecular Properties

Compound Name2,6-dimethyl-4-prop-2-enylhepta-1,5-diene
PubChem CID23173905
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,6-dimethyl-4-prop-2-enylhepta-1,5-diene
SMILESC=CCC(C=C(C)C)CC(=C)C
InChIInChI=1S/C12H20/c1-6-7-12(8-10(2)3)9-11(4)5/h6,9,12H,1-2,7-8H2,3-5H3
InChIKeyXYWHIKJUHSHKGX-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
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-prop-2-enylhepta-1,5-diene?
The IUPAC name of 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene (CID 23173905) is 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene.
What is the SMILES notation for 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene?
The canonical SMILES for 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene is C=CCC(C=C(C)C)CC(=C)C.
What is the InChIKey of 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene?
The InChIKey is XYWHIKJUHSHKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-7-12(8-10(2)3)9-11(4)5/h6,9,12H,1-2,7-8H2,3-5H3.
What are the key properties of 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene?
2,6-dimethyl-4-prop-2-enylhepta-1,5-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-prop-2-enylhepta-1,5-diene is sourced from PubChem (CID 23173905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).