(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene

C17H28 — CID 22236783

IUPAC(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
SMILESC=C/C(C)=C/C/C=C(\CC)CC/C=C(\C)CC
InChIInChI=1S/C17H28/c1-6-15(4)11-9-13-17(8-3)14-10-12-16(5)7-2/h6,11-13H,1,7-10,14H2,2-5H3/b15-11+,16-12+,17-13+
InChIKeyDSFNZXRWOVOIGV-GWZYDACJSA-N
MW232.41 g/mol
LogP5.98
Rot. Bonds8

About (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene

(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene (PubChem CID 22236783) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene.

Molecular Properties

Compound Name(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
PubChem CID22236783
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
SMILESC=C/C(C)=C/C/C=C(\CC)CC/C=C(\C)CC
InChIInChI=1S/C17H28/c1-6-15(4)11-9-13-17(8-3)14-10-12-16(5)7-2/h6,11-13H,1,7-10,14H2,2-5H3/b15-11+,16-12+,17-13+
InChIKeyDSFNZXRWOVOIGV-GWZYDACJSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608
(9Z)-9-ethyl-5-methylundeca-1,5,9-triene
CID 59685224
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
prop-2-enyl 7-ethyl-3,11-dimethyltrideca-2,6,10-trienoate
CID 173463345
2,6-dimethylocta-1,5-diene
CID 54025904
4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
CID 156748576
(6E,10E)-10-ethyl-2,6-dimethyldodeca-2,6,10-triene
CID 169000868
7-ethyl-2,3,11-trimethyltrideca-2,6,10-trienoic acid
CID 173458043
3,7-dimethyloctadeca-1,3,6-triene
CID 174988182
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874

Frequently Asked Questions

What is the IUPAC name of (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene?
The IUPAC name of (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene (CID 22236783) is (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene.
What is the SMILES notation for (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene?
The canonical SMILES for (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene is C=C/C(C)=C/C/C=C(\CC)CC/C=C(\C)CC.
What is the InChIKey of (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene?
The InChIKey is DSFNZXRWOVOIGV-GWZYDACJSA-N. The full InChI is InChI=1S/C17H28/c1-6-15(4)11-9-13-17(8-3)14-10-12-16(5)7-2/h6,11-13H,1,7-10,14H2,2-5H3/b15-11+,16-12+,17-13+.
What are the key properties of (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene?
(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene has a molecular weight of 232.41 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene is sourced from PubChem (CID 22236783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).