(5E)-3,6,7-trimethylocta-2,5-diene

C11H20 — CID 91463486

IUPAC(5E)-3,6,7-trimethylocta-2,5-diene
SMILESCC=C(C)C/C=C(\C)C(C)C
InChIInChI=1S/C11H20/c1-6-10(4)7-8-11(5)9(2)3/h6,8-9H,7H2,1-5H3/b10-6?,11-8+
InChIKeyDDHYEZZUKVFERY-VJJUCBOQSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds3

About (5E)-3,6,7-trimethylocta-2,5-diene

(5E)-3,6,7-trimethylocta-2,5-diene (PubChem CID 91463486) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (5E)-3,6,7-trimethylocta-2,5-diene.

Molecular Properties

Compound Name(5E)-3,6,7-trimethylocta-2,5-diene
PubChem CID91463486
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(5E)-3,6,7-trimethylocta-2,5-diene
SMILESCC=C(C)C/C=C(\C)C(C)C
InChIInChI=1S/C11H20/c1-6-10(4)7-8-11(5)9(2)3/h6,8-9H,7H2,1-5H3/b10-6?,11-8+
InChIKeyDDHYEZZUKVFERY-VJJUCBOQSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
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

(5E)-2,5-dimethylhepta-2,5-diene
CID 12688397
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
(E)-N,N,3,4-tetramethylpent-2-en-1-amine
CID 59115911
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
1-methoxy-4,5-dimethylhex-3-ene
CID 90948213
(E)-N,3,4-trimethyl-N-propan-2-ylpent-2-en-1-amine
CID 134511432
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
(2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide
CID 123817540
1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene
CID 102034582

Frequently Asked Questions

What is the IUPAC name of (5E)-3,6,7-trimethylocta-2,5-diene?
The IUPAC name of (5E)-3,6,7-trimethylocta-2,5-diene (CID 91463486) is (5E)-3,6,7-trimethylocta-2,5-diene.
What is the SMILES notation for (5E)-3,6,7-trimethylocta-2,5-diene?
The canonical SMILES for (5E)-3,6,7-trimethylocta-2,5-diene is CC=C(C)C/C=C(\C)C(C)C.
What is the InChIKey of (5E)-3,6,7-trimethylocta-2,5-diene?
The InChIKey is DDHYEZZUKVFERY-VJJUCBOQSA-N. The full InChI is InChI=1S/C11H20/c1-6-10(4)7-8-11(5)9(2)3/h6,8-9H,7H2,1-5H3/b10-6?,11-8+.
What are the key properties of (5E)-3,6,7-trimethylocta-2,5-diene?
(5E)-3,6,7-trimethylocta-2,5-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,6,7-trimethylocta-2,5-diene is sourced from PubChem (CID 91463486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).