(4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene

C15H26 — CID 20695232

IUPAC(4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene
SMILESC=CC/C(C)=C(\C)CC(C)(C)/C(C)=C/C
InChIInChI=1S/C15H26/c1-8-10-12(3)13(4)11-15(6,7)14(5)9-2/h8-9H,1,10-11H2,2-7H3/b13-12+,14-9+
InChIKeyDRBHLLJBXUPUFC-WIVVVKQNSA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds5

About (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene

(4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene (PubChem CID 20695232) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene.

Molecular Properties

Compound Name(4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene
PubChem CID20695232
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene
SMILESC=CC/C(C)=C(\C)CC(C)(C)/C(C)=C/C
InChIInChI=1S/C15H26/c1-8-10-12(3)13(4)11-15(6,7)14(5)9-2/h8-9H,1,10-11H2,2-7H3/b13-12+,14-9+
InChIKeyDRBHLLJBXUPUFC-WIVVVKQNSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
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

(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene
CID 20598416
4-ethylidene-5,5,6,6,7,8-hexamethylnona-1,7-diene
CID 59970603
5,5-dimethylhept-1-en-4-one
CID 58805574
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(213C)pent-4-en-2-one
CID 173180315
dec-9-ene-2,7-dione
CID 12569346
(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine
CID 145229389
4,6-dimethylocta-1,4,6-triene
CID 123877249
(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine
CID 134987819
4-ethylidene-6,7-dimethylnona-1,6-diene
CID 54551976
(4Z)-4-iodohexa-1,4-diene
CID 88547743
4-ethenylhexa-1,4-diene
CID 85441048

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene?
The IUPAC name of (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene (CID 20695232) is (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene.
What is the SMILES notation for (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene?
The canonical SMILES for (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene is C=CC/C(C)=C(\C)CC(C)(C)/C(C)=C/C.
What is the InChIKey of (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene?
The InChIKey is DRBHLLJBXUPUFC-WIVVVKQNSA-N. The full InChI is InChI=1S/C15H26/c1-8-10-12(3)13(4)11-15(6,7)14(5)9-2/h8-9H,1,10-11H2,2-7H3/b13-12+,14-9+.
What are the key properties of (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene?
(4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene has a molecular weight of 206.37 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene is sourced from PubChem (CID 20695232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).