(6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one

C17H24O2 — CID 135213405

IUPAC(6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one
SMILESC/C=C/C=C/C(=O)CCC(C)OCC1=CCCC=C1
InChIInChI=1S/C17H24O2/c1-3-4-6-11-17(18)13-12-15(2)19-14-16-9-7-5-8-10-16/h3-4,6-7,9-11,15H,5,8,12-14H2,1-2H3/b4-3+,11-6+
InChIKeyJKXNWLMCJFCZAH-HFBSYCRKSA-N
MW260.38 g/mol
LogP4.15
Rot. Bonds8

About (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one

(6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one (PubChem CID 135213405) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one.

Molecular Properties

Compound Name(6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one
PubChem CID135213405
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one
SMILESC/C=C/C=C/C(=O)CCC(C)OCC1=CCCC=C1
InChIInChI=1S/C17H24O2/c1-3-4-6-11-17(18)13-12-15(2)19-14-16-9-7-5-8-10-16/h3-4,6-7,9-11,15H,5,8,12-14H2,1-2H3/b4-3+,11-6+
InChIKeyJKXNWLMCJFCZAH-HFBSYCRKSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one?
The IUPAC name of (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one (CID 135213405) is (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one.
What is the SMILES notation for (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one?
The canonical SMILES for (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one is C/C=C/C=C/C(=O)CCC(C)OCC1=CCCC=C1.
What is the InChIKey of (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one?
The InChIKey is JKXNWLMCJFCZAH-HFBSYCRKSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-4-6-11-17(18)13-12-15(2)19-14-16-9-7-5-8-10-16/h3-4,6-7,9-11,15H,5,8,12-14H2,1-2H3/b4-3+,11-6+.
What are the key properties of (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one?
(6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one has a molecular weight of 260.38 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-2-(cyclohexa-1,5-dien-1-ylmethoxy)deca-6,8-dien-5-one is sourced from PubChem (CID 135213405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).