(4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene

C14H22O — CID 14111129

IUPAC(4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene
SMILESC=CC/C=C/C(C)OC(C)/C=C/CC=C
InChIInChI=1S/C14H22O/c1-5-7-9-11-13(3)15-14(4)12-10-8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3/b11-9+,12-10+
InChIKeyVFSCODGQOVDEHD-WGDLNXRISA-N
MW206.33 g/mol
LogP4.04
Rot. Bonds8

About (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene

(4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene (PubChem CID 14111129) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene.

Molecular Properties

Compound Name(4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene
PubChem CID14111129
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene
SMILESC=CC/C=C/C(C)OC(C)/C=C/CC=C
InChIInChI=1S/C14H22O/c1-5-7-9-11-13(3)15-14(4)12-10-8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3/b11-9+,12-10+
InChIKeyVFSCODGQOVDEHD-WGDLNXRISA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene?
The IUPAC name of (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene (CID 14111129) is (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene.
What is the SMILES notation for (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene?
The canonical SMILES for (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene is C=CC/C=C/C(C)OC(C)/C=C/CC=C.
What is the InChIKey of (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene?
The InChIKey is VFSCODGQOVDEHD-WGDLNXRISA-N. The full InChI is InChI=1S/C14H22O/c1-5-7-9-11-13(3)15-14(4)12-10-8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3/b11-9+,12-10+.
What are the key properties of (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene?
(4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene has a molecular weight of 206.33 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,4-diene is sourced from PubChem (CID 14111129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).