(3E)-4,5,7-trimethylocta-1,3,7-triene

C11H18 — CID 178162808

IUPAC(3E)-4,5,7-trimethylocta-1,3,7-triene
SMILESC=C/C=C(\C)C(C)CC(=C)C
InChIInChI=1S/C11H18/c1-6-7-10(4)11(5)8-9(2)3/h6-7,11H,1-2,8H2,3-5H3/b10-7+
InChIKeyWEKRODGEUWQCIU-JXMROGBWSA-N
MW150.26 g/mol
LogP3.72
Rot. Bonds4

About (3E)-4,5,7-trimethylocta-1,3,7-triene

(3E)-4,5,7-trimethylocta-1,3,7-triene (PubChem CID 178162808) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (3E)-4,5,7-trimethylocta-1,3,7-triene.

Molecular Properties

Compound Name(3E)-4,5,7-trimethylocta-1,3,7-triene
PubChem CID178162808
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(3E)-4,5,7-trimethylocta-1,3,7-triene
SMILESC=C/C=C(\C)C(C)CC(=C)C
InChIInChI=1S/C11H18/c1-6-7-10(4)11(5)8-9(2)3/h6-7,11H,1-2,8H2,3-5H3/b10-7+
InChIKeyWEKRODGEUWQCIU-JXMROGBWSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.72
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

(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine
CID 174019086
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
CID 134266797
(3E,5S)-4-methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 58597093
2,4-dimethylpent-1-ene;ethane
CID 143336990
(4E)-4-methylhepta-4,6-dien-2-amine
CID 144723501
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
CID 173495627
CID 173495627
2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 174284905

Frequently Asked Questions

What is the IUPAC name of (3E)-4,5,7-trimethylocta-1,3,7-triene?
The IUPAC name of (3E)-4,5,7-trimethylocta-1,3,7-triene (CID 178162808) is (3E)-4,5,7-trimethylocta-1,3,7-triene.
What is the SMILES notation for (3E)-4,5,7-trimethylocta-1,3,7-triene?
The canonical SMILES for (3E)-4,5,7-trimethylocta-1,3,7-triene is C=C/C=C(\C)C(C)CC(=C)C.
What is the InChIKey of (3E)-4,5,7-trimethylocta-1,3,7-triene?
The InChIKey is WEKRODGEUWQCIU-JXMROGBWSA-N. The full InChI is InChI=1S/C11H18/c1-6-7-10(4)11(5)8-9(2)3/h6-7,11H,1-2,8H2,3-5H3/b10-7+.
What are the key properties of (3E)-4,5,7-trimethylocta-1,3,7-triene?
(3E)-4,5,7-trimethylocta-1,3,7-triene has a molecular weight of 150.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,5,7-trimethylocta-1,3,7-triene is sourced from PubChem (CID 178162808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).