(4E)-3,3,6,6-tetramethylhepta-1,4-diene

C11H20 — CID 142855106

IUPAC(4E)-3,3,6,6-tetramethylhepta-1,4-diene
SMILESC=CC(C)(C)/C=C/C(C)(C)C
InChIInChI=1S/C11H20/c1-7-11(5,6)9-8-10(2,3)4/h7-9H,1H2,2-6H3/b9-8+
InChIKeyMJCURFACWLTQGG-CMDGGOBGSA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds2

About (4E)-3,3,6,6-tetramethylhepta-1,4-diene

(4E)-3,3,6,6-tetramethylhepta-1,4-diene (PubChem CID 142855106) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (4E)-3,3,6,6-tetramethylhepta-1,4-diene.

Molecular Properties

Compound Name(4E)-3,3,6,6-tetramethylhepta-1,4-diene
PubChem CID142855106
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(4E)-3,3,6,6-tetramethylhepta-1,4-diene
SMILESC=CC(C)(C)/C=C/C(C)(C)C
InChIInChI=1S/C11H20/c1-7-11(5,6)9-8-10(2,3)4/h7-9H,1H2,2-6H3/b9-8+
InChIKeyMJCURFACWLTQGG-CMDGGOBGSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethene;bis(2,2,5,5-tetramethylhex-3-ene)
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3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
3,3-dimethylbut-1-ene;2,2-dimethylpropane
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3,3,6,6,9,9-hexamethyldeca-1,7-diene
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2,2-dimethylbut-3-enylidene(dimethyl)azanium
CID 177028140
(3E)-5,5-dimethylhepta-3,6-dien-1-ol
CID 10441786
(E)-2-chloro-2,5,5-trimethylhex-3-ene
CID 118583254
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
(E)-2,5,5-trimethylhex-3-en-2-amine
CID 166660813
butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
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CID 168724040
CID 168724040

Frequently Asked Questions

What is the IUPAC name of (4E)-3,3,6,6-tetramethylhepta-1,4-diene?
The IUPAC name of (4E)-3,3,6,6-tetramethylhepta-1,4-diene (CID 142855106) is (4E)-3,3,6,6-tetramethylhepta-1,4-diene.
What is the SMILES notation for (4E)-3,3,6,6-tetramethylhepta-1,4-diene?
The canonical SMILES for (4E)-3,3,6,6-tetramethylhepta-1,4-diene is C=CC(C)(C)/C=C/C(C)(C)C.
What is the InChIKey of (4E)-3,3,6,6-tetramethylhepta-1,4-diene?
The InChIKey is MJCURFACWLTQGG-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20/c1-7-11(5,6)9-8-10(2,3)4/h7-9H,1H2,2-6H3/b9-8+.
What are the key properties of (4E)-3,3,6,6-tetramethylhepta-1,4-diene?
(4E)-3,3,6,6-tetramethylhepta-1,4-diene has a molecular weight of 152.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3,3,6,6-tetramethylhepta-1,4-diene is sourced from PubChem (CID 142855106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).