3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene

C26H50 — CID 123861740

IUPAC3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene
SMILESC=CC(CC(C)(C)C(CC)(CC=CCC(C)(C)CC)CCC)C(C)(C)C
InChIInChI=1S/C26H50/c1-12-18-26(15-4,20-17-16-19-24(8,9)14-3)25(10,11)21-22(13-2)23(5,6)7/h13,16-17,22H,2,12,14-15,18-21H2,1,3-11H3
InChIKeyJJSMMPZINZEAFK-UHFFFAOYSA-N
MW362.69 g/mol
LogP9.22
Rot. Bonds12

About 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene

3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene (PubChem CID 123861740) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene
PubChem CID123861740
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene
SMILESC=CC(CC(C)(C)C(CC)(CC=CCC(C)(C)CC)CCC)C(C)(C)C
InChIInChI=1S/C26H50/c1-12-18-26(15-4,20-17-16-19-24(8,9)14-3)25(10,11)21-22(13-2)23(5,6)7/h13,16-17,22H,2,12,14-15,18-21H2,1,3-11H3
InChIKeyJJSMMPZINZEAFK-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 59.22
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

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CID 123557497
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3,3-dimethylhexane
CID 11233
11-ethenyl-2,3,3,8,8,9,9,12,12,13,13,17,17,18-tetradecamethylicosa-5,15-diene-2,18-diol
CID 91232492
6,6-dimethyloct-1-en-3-ol
CID 175204364
CID 123373948
CID 123373948
3,3-dimethylhexane-1,1-diamine
CID 88633791
4-methyl-4-propylhept-1-ene
CID 139926982
3-tert-butylpenta-1,4-diene
CID 12556609
4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine
CID 87405810
3,3,6,6-tetramethylnonan-5-amine
CID 89328233

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene?
The IUPAC name of 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene (CID 123861740) is 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene.
What is the SMILES notation for 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene?
The canonical SMILES for 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene is C=CC(CC(C)(C)C(CC)(CC=CCC(C)(C)CC)CCC)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene?
The InChIKey is JJSMMPZINZEAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50/c1-12-18-26(15-4,20-17-16-19-24(8,9)14-3)25(10,11)21-22(13-2)23(5,6)7/h13,16-17,22H,2,12,14-15,18-21H2,1,3-11H3.
What are the key properties of 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene?
3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene has a molecular weight of 362.69 g/mol, XLogP of 9.22, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene is sourced from PubChem (CID 123861740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).