(5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene

C14H22O — CID 14111127

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

About (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene

(5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene (PubChem CID 14111127) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene.

Molecular Properties

Compound Name(5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene
PubChem CID14111127
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene
SMILESC=CC/C=C/C(C)OC(/C=C/C)CC=C
InChIInChI=1S/C14H22O/c1-5-8-9-12-13(4)15-14(10-6-2)11-7-3/h5-7,9,11-14H,1-2,8,10H2,3-4H3/b11-7+,12-9+
InChIKeyLSVMGSUFGPNPIW-HNWKWBPYSA-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 (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene?
The IUPAC name of (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene (CID 14111127) is (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene.
What is the SMILES notation for (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene?
The canonical SMILES for (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene is C=CC/C=C/C(C)OC(/C=C/C)CC=C.
What is the InChIKey of (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene?
The InChIKey is LSVMGSUFGPNPIW-HNWKWBPYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-8-9-12-13(4)15-14(10-6-2)11-7-3/h5-7,9,11-14H,1-2,8,10H2,3-4H3/b11-7+,12-9+.
What are the key properties of (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene?
(5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-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 (5E)-4-[(3E)-hepta-3,6-dien-2-yl]oxyhepta-1,5-diene is sourced from PubChem (CID 14111127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).