(5E)-3,3-dimethyltrideca-1,5-diene

C15H28 — CID 15646578

IUPAC(5E)-3,3-dimethyltrideca-1,5-diene
SMILESC=CC(C)(C)C/C=C/CCCCCCC
InChIInChI=1S/C15H28/c1-5-7-8-9-10-11-12-13-14-15(3,4)6-2/h6,12-13H,2,5,7-11,14H2,1,3-4H3/b13-12+
InChIKeyYEESSZDATMQRTF-OUKQBFOZSA-N
MW208.39 g/mol
LogP5.51
Rot. Bonds9

About (5E)-3,3-dimethyltrideca-1,5-diene

(5E)-3,3-dimethyltrideca-1,5-diene (PubChem CID 15646578) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (5E)-3,3-dimethyltrideca-1,5-diene.

Molecular Properties

Compound Name(5E)-3,3-dimethyltrideca-1,5-diene
PubChem CID15646578
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(5E)-3,3-dimethyltrideca-1,5-diene
SMILESC=CC(C)(C)C/C=C/CCCCCCC
InChIInChI=1S/C15H28/c1-5-7-8-9-10-11-12-13-14-15(3,4)6-2/h6,12-13H,2,5,7-11,14H2,1,3-4H3/b13-12+
InChIKeyYEESSZDATMQRTF-OUKQBFOZSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(E)-hexacos-10-ene
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tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
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heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
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triacont-12-ene
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(Z)-octadec-6-ene
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(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of (5E)-3,3-dimethyltrideca-1,5-diene?
The IUPAC name of (5E)-3,3-dimethyltrideca-1,5-diene (CID 15646578) is (5E)-3,3-dimethyltrideca-1,5-diene.
What is the SMILES notation for (5E)-3,3-dimethyltrideca-1,5-diene?
The canonical SMILES for (5E)-3,3-dimethyltrideca-1,5-diene is C=CC(C)(C)C/C=C/CCCCCCC.
What is the InChIKey of (5E)-3,3-dimethyltrideca-1,5-diene?
The InChIKey is YEESSZDATMQRTF-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H28/c1-5-7-8-9-10-11-12-13-14-15(3,4)6-2/h6,12-13H,2,5,7-11,14H2,1,3-4H3/b13-12+.
What are the key properties of (5E)-3,3-dimethyltrideca-1,5-diene?
(5E)-3,3-dimethyltrideca-1,5-diene has a molecular weight of 208.39 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,3-dimethyltrideca-1,5-diene is sourced from PubChem (CID 15646578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).