(3R,5E)-3-ethyl-3-methyldeca-1,5-diene

C13H24 — CID 135063113

IUPAC(3R,5E)-3-ethyl-3-methyldeca-1,5-diene
SMILESC=C[C@](C)(CC)C/C=C/CCCC
InChIInChI=1S/C13H24/c1-5-8-9-10-11-12-13(4,6-2)7-3/h6,10-11H,2,5,7-9,12H2,1,3-4H3/b11-10+/t13-/m1/s1
InChIKeyHRWBIIANUYHHQV-OCHBPSSRSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds7

About (3R,5E)-3-ethyl-3-methyldeca-1,5-diene

(3R,5E)-3-ethyl-3-methyldeca-1,5-diene (PubChem CID 135063113) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3R,5E)-3-ethyl-3-methyldeca-1,5-diene.

Molecular Properties

Compound Name(3R,5E)-3-ethyl-3-methyldeca-1,5-diene
PubChem CID135063113
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3R,5E)-3-ethyl-3-methyldeca-1,5-diene
SMILESC=C[C@](C)(CC)C/C=C/CCCC
InChIInChI=1S/C13H24/c1-5-8-9-10-11-12-13(4,6-2)7-3/h6,10-11H,2,5,7-9,12H2,1,3-4H3/b11-10+/t13-/m1/s1
InChIKeyHRWBIIANUYHHQV-OCHBPSSRSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
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

Humulene
CID 5281520
3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
3,5,5-Trimethyl-2-hexene
CID 5365055
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
3,3,5-Trimethylcyclohexene
CID 79031
4,4-Dimethyl-1-hexene
CID 137136
beta-Pyronene
CID 228342
(E)-2,2-Dimethylhept-3-ene
CID 5352650
2,2,4,6,6-Pentamethyl-3-heptene
CID 31259
(1E,4E,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 6187145

Frequently Asked Questions

What is the IUPAC name of (3R,5E)-3-ethyl-3-methyldeca-1,5-diene?
The IUPAC name of (3R,5E)-3-ethyl-3-methyldeca-1,5-diene (CID 135063113) is (3R,5E)-3-ethyl-3-methyldeca-1,5-diene.
What is the SMILES notation for (3R,5E)-3-ethyl-3-methyldeca-1,5-diene?
The canonical SMILES for (3R,5E)-3-ethyl-3-methyldeca-1,5-diene is C=C[C@](C)(CC)C/C=C/CCCC.
What is the InChIKey of (3R,5E)-3-ethyl-3-methyldeca-1,5-diene?
The InChIKey is HRWBIIANUYHHQV-OCHBPSSRSA-N. The full InChI is InChI=1S/C13H24/c1-5-8-9-10-11-12-13(4,6-2)7-3/h6,10-11H,2,5,7-9,12H2,1,3-4H3/b11-10+/t13-/m1/s1.
What are the key properties of (3R,5E)-3-ethyl-3-methyldeca-1,5-diene?
(3R,5E)-3-ethyl-3-methyldeca-1,5-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5E)-3-ethyl-3-methyldeca-1,5-diene is sourced from PubChem (CID 135063113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).