(3E,5E)-2,2,7-trimethylocta-3,5-diene

C11H20 — CID 166040106

IUPAC(3E,5E)-2,2,7-trimethylocta-3,5-diene
SMILESCC(C)/C=C/C=C/C(C)(C)C
InChIInChI=1S/C11H20/c1-10(2)8-6-7-9-11(3,4)5/h6-10H,1-5H3/b8-6+,9-7+
InChIKeyIAEVEQGRUBUIKX-CDJQDVQCSA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds2

About (3E,5E)-2,2,7-trimethylocta-3,5-diene

(3E,5E)-2,2,7-trimethylocta-3,5-diene (PubChem CID 166040106) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (3E,5E)-2,2,7-trimethylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-2,2,7-trimethylocta-3,5-diene
PubChem CID166040106
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(3E,5E)-2,2,7-trimethylocta-3,5-diene
SMILESCC(C)/C=C/C=C/C(C)(C)C
InChIInChI=1S/C11H20/c1-10(2)8-6-7-9-11(3,4)5/h6-10H,1-5H3/b8-6+,9-7+
InChIKeyIAEVEQGRUBUIKX-CDJQDVQCSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E,7E,9E,11E,13E,15E,17E)-2,2,19,19-tetramethylicosa-3,5,7,9,11,13,15,17-octaene
CID 11782262
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
(1E,3E)-1-iodo-5-methylhexa-1,3-diene
CID 88539318
(1E,3Z)-5-methylhexa-1,3-dien-1-amine
CID 163516351
(3E,5E,7E,9E)-2-iodo-2,11,11-trimethyldodeca-3,5,7,9-tetraene
CID 129101543
(2E,4E,6E)-8,8-dimethylnona-2,4,6-trienal
CID 15208834
(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal
CID 11194828
(1E,3E,5E)-1-iodo-7,7-dimethylocta-1,3,5-triene
CID 11118859
(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
CID 58373550
(2E)-6,6-dimethylhepta-2,4-dien-1-ol
CID 154163380
(3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene
CID 58982102
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2,2,7-trimethylocta-3,5-diene?
The IUPAC name of (3E,5E)-2,2,7-trimethylocta-3,5-diene (CID 166040106) is (3E,5E)-2,2,7-trimethylocta-3,5-diene.
What is the SMILES notation for (3E,5E)-2,2,7-trimethylocta-3,5-diene?
The canonical SMILES for (3E,5E)-2,2,7-trimethylocta-3,5-diene is CC(C)/C=C/C=C/C(C)(C)C.
What is the InChIKey of (3E,5E)-2,2,7-trimethylocta-3,5-diene?
The InChIKey is IAEVEQGRUBUIKX-CDJQDVQCSA-N. The full InChI is InChI=1S/C11H20/c1-10(2)8-6-7-9-11(3,4)5/h6-10H,1-5H3/b8-6+,9-7+.
What are the key properties of (3E,5E)-2,2,7-trimethylocta-3,5-diene?
(3E,5E)-2,2,7-trimethylocta-3,5-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 (3E,5E)-2,2,7-trimethylocta-3,5-diene is sourced from PubChem (CID 166040106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).