(3E)-2,3-dimethyl-6-methylidenenona-1,3-diene

C12H20 — CID 144514030

IUPAC(3E)-2,3-dimethyl-6-methylidenenona-1,3-diene
SMILESC=C(C/C=C(\C)C(=C)C)CCC
InChIInChI=1S/C12H20/c1-6-7-11(4)8-9-12(5)10(2)3/h9H,2,4,6-8H2,1,3,5H3/b12-9+
InChIKeyUEIVBLBKFOXRQD-FMIVXFBMSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds5

About (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene

(3E)-2,3-dimethyl-6-methylidenenona-1,3-diene (PubChem CID 144514030) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene.

Molecular Properties

Compound Name(3E)-2,3-dimethyl-6-methylidenenona-1,3-diene
PubChem CID144514030
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3E)-2,3-dimethyl-6-methylidenenona-1,3-diene
SMILESC=C(C/C=C(\C)C(=C)C)CCC
InChIInChI=1S/C12H20/c1-6-7-11(4)8-9-12(5)10(2)3/h9H,2,4,6-8H2,1,3,5H3/b12-9+
InChIKeyUEIVBLBKFOXRQD-FMIVXFBMSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene?
The IUPAC name of (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene (CID 144514030) is (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene.
What is the SMILES notation for (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene?
The canonical SMILES for (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene is C=C(C/C=C(\C)C(=C)C)CCC.
What is the InChIKey of (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene?
The InChIKey is UEIVBLBKFOXRQD-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H20/c1-6-7-11(4)8-9-12(5)10(2)3/h9H,2,4,6-8H2,1,3,5H3/b12-9+.
What are the key properties of (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene?
(3E)-2,3-dimethyl-6-methylidenenona-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,3-dimethyl-6-methylidenenona-1,3-diene is sourced from PubChem (CID 144514030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).