(3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene

C15H19BrO — CID 89320713

IUPAC(3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene
SMILESC=C(C)/C=C\C(\C=C\C(=C\C)OC(=C)Br)=C/C
InChIInChI=1S/C15H19BrO/c1-6-14(9-8-12(3)4)10-11-15(7-2)17-13(5)16/h6-11H,3,5H2,1-2,4H3/b9-8-,11-10+,14-6+,15-7-
InChIKeyMPTCZVSYZWZEKJ-IDAOEBHVSA-N
MW295.22 g/mol
LogP5.41
Rot. Bonds6

About (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene

(3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene (PubChem CID 89320713) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene.

Molecular Properties

Compound Name(3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene
PubChem CID89320713
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name(3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene
SMILESC=C(C)/C=C\C(\C=C\C(=C\C)OC(=C)Br)=C/C
InChIInChI=1S/C15H19BrO/c1-6-14(9-8-12(3)4)10-11-15(7-2)17-13(5)16/h6-11H,3,5H2,1-2,4H3/b9-8-,11-10+,14-6+,15-7-
InChIKeyMPTCZVSYZWZEKJ-IDAOEBHVSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.22
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene?
The IUPAC name of (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene (CID 89320713) is (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene.
What is the SMILES notation for (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene?
The canonical SMILES for (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene is C=C(C)/C=C\C(\C=C\C(=C\C)OC(=C)Br)=C/C.
What is the InChIKey of (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene?
The InChIKey is MPTCZVSYZWZEKJ-IDAOEBHVSA-N. The full InChI is InChI=1S/C15H19BrO/c1-6-14(9-8-12(3)4)10-11-15(7-2)17-13(5)16/h6-11H,3,5H2,1-2,4H3/b9-8-,11-10+,14-6+,15-7-.
What are the key properties of (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene?
(3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene has a molecular weight of 295.22 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,6E,8Z)-8-(1-bromoethenoxy)-5-ethylidene-2-methyldeca-1,3,6,8-tetraene is sourced from PubChem (CID 89320713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).