2,5-dimethyl-3-methylidenehexa-1,4-diene

C9H14 — CID 90782007

IUPAC2,5-dimethyl-3-methylidenehexa-1,4-diene
SMILESC=C(C)C(=C)C=C(C)C
InChIInChI=1S/C9H14/c1-7(2)6-9(5)8(3)4/h6H,3,5H2,1-2,4H3
InChIKeyBGWQBDSYHKJCLY-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.08
Rot. Bonds2

About 2,5-dimethyl-3-methylidenehexa-1,4-diene

2,5-dimethyl-3-methylidenehexa-1,4-diene (PubChem CID 90782007) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylidenehexa-1,4-diene.

Molecular Properties

Compound Name2,5-dimethyl-3-methylidenehexa-1,4-diene
PubChem CID90782007
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2,5-dimethyl-3-methylidenehexa-1,4-diene
SMILESC=C(C)C(=C)C=C(C)C
InChIInChI=1S/C9H14/c1-7(2)6-9(5)8(3)4/h6H,3,5H2,1-2,4H3
InChIKeyBGWQBDSYHKJCLY-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylidenehexa-1,4-diene?
The IUPAC name of 2,5-dimethyl-3-methylidenehexa-1,4-diene (CID 90782007) is 2,5-dimethyl-3-methylidenehexa-1,4-diene.
What is the SMILES notation for 2,5-dimethyl-3-methylidenehexa-1,4-diene?
The canonical SMILES for 2,5-dimethyl-3-methylidenehexa-1,4-diene is C=C(C)C(=C)C=C(C)C.
What is the InChIKey of 2,5-dimethyl-3-methylidenehexa-1,4-diene?
The InChIKey is BGWQBDSYHKJCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-7(2)6-9(5)8(3)4/h6H,3,5H2,1-2,4H3.
What are the key properties of 2,5-dimethyl-3-methylidenehexa-1,4-diene?
2,5-dimethyl-3-methylidenehexa-1,4-diene has a molecular weight of 122.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylidenehexa-1,4-diene is sourced from PubChem (CID 90782007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).