(6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene

C12H20 — CID 145367319

IUPAC(6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene
SMILESC=C(C)C(=C)C(C)C/C(C)=C/C
InChIInChI=1S/C12H20/c1-7-10(4)8-11(5)12(6)9(2)3/h7,11H,2,6,8H2,1,3-5H3/b10-7+
InChIKeyWRIVNCCZMYAPHW-JXMROGBWSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds4

About (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene

(6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene (PubChem CID 145367319) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name(6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene
PubChem CID145367319
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene
SMILESC=C(C)C(=C)C(C)C/C(C)=C/C
InChIInChI=1S/C12H20/c1-7-10(4)8-11(5)12(6)9(2)3/h7,11H,2,6,8H2,1,3-5H3/b10-7+
InChIKeyWRIVNCCZMYAPHW-JXMROGBWSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-hydroxy-3,5-dimethyl-2-methylidenehept-5-enamide
CID 155362173
4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
CID 73412839
(E,2R)-2,4-dimethylhex-4-en-1-ol
CID 10103193
2,3,5-trimethylocta-1,5-diene
CID 123730712
(3E)-4,6,7-trimethylocta-3,7-dien-1-amine
CID 89277874
(Z,3S)-5-methylhept-5-en-3-ol
CID 97304128
6-ethyl-3,5,6-trimethyloct-2-ene
CID 91251673
3,5,9-trimethyldec-2-ene
CID 123396305
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808
(E,2S,3R)-3-hydroxy-2,5-dimethylhept-5-enal
CID 135009442
(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine
CID 174019086
2,3,5,8-tetramethyldeca-1,5,9-triene
CID 549653

Frequently Asked Questions

What is the IUPAC name of (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene?
The IUPAC name of (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene (CID 145367319) is (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene.
What is the SMILES notation for (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene?
The canonical SMILES for (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene is C=C(C)C(=C)C(C)C/C(C)=C/C.
What is the InChIKey of (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene?
The InChIKey is WRIVNCCZMYAPHW-JXMROGBWSA-N. The full InChI is InChI=1S/C12H20/c1-7-10(4)8-11(5)12(6)9(2)3/h7,11H,2,6,8H2,1,3-5H3/b10-7+.
What are the key properties of (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene?
(6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene is sourced from PubChem (CID 145367319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).