(5Z,7E)-1,1-diheptoxydodeca-5,7-diene

C26H50O2 — CID 170561608

IUPAC(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
SMILESCCCC/C=C/C=C\CCCC(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C26H50O2/c1-4-7-10-13-14-15-16-17-20-23-26(27-24-21-18-11-8-5-2)28-25-22-19-12-9-6-3/h13-16,26H,4-12,17-25H2,1-3H3/b14-13+,16-15-
InChIKeyRUDIQHMYSVHKIO-MSBKQZQESA-N
MW394.68 g/mol
LogP8.76
Rot. Bonds22

About (5Z,7E)-1,1-diheptoxydodeca-5,7-diene

(5Z,7E)-1,1-diheptoxydodeca-5,7-diene (PubChem CID 170561608) has the molecular formula C26H50O2 and a molecular weight of 394.68 g/mol. Its IUPAC name is (5Z,7E)-1,1-diheptoxydodeca-5,7-diene.

Molecular Properties

Compound Name(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
PubChem CID170561608
Molecular FormulaC26H50O2
Molecular Weight394.68 g/mol
Exact Mass394.38
IUPAC Name(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
SMILESCCCC/C=C/C=C\CCCC(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C26H50O2/c1-4-7-10-13-14-15-16-17-20-23-26(27-24-21-18-11-8-5-2)28-25-22-19-12-9-6-3/h13-16,26H,4-12,17-25H2,1-3H3/b14-13+,16-15-
InChIKeyRUDIQHMYSVHKIO-MSBKQZQESA-N
XLogP8.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z,7E)-13-octoxy-13-[(6E,8Z)-1-octoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350463
(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
CID 146189754
(3E,5Z,9Z)-16,16-dioctoxyhexadeca-3,5,9-triene
CID 165377062
(Z)-1-chloro-14,14-dioctoxytetradec-3-ene
CID 163205372
(Z)-1-chloro-11,11-dioctoxyundec-4-ene
CID 165175011
(Z)-1-chloro-12,12-dihexoxydodec-3-ene
CID 163205362
[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide
CID 175312569
1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane
CID 163205818
(Z)-12,12-didecoxy-1-iodododec-3-ene
CID 163205869
(Z)-13,13-diheptoxytridec-3-en-1-ol
CID 163205318
(Z)-13,13-dihexoxytridec-3-en-1-ol
CID 163205677
(3E)-12,12-dibutoxydodeca-1,3-diene
CID 163205499

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-1,1-diheptoxydodeca-5,7-diene?
The IUPAC name of (5Z,7E)-1,1-diheptoxydodeca-5,7-diene (CID 170561608) is (5Z,7E)-1,1-diheptoxydodeca-5,7-diene.
What is the SMILES notation for (5Z,7E)-1,1-diheptoxydodeca-5,7-diene?
The canonical SMILES for (5Z,7E)-1,1-diheptoxydodeca-5,7-diene is CCCC/C=C/C=C\CCCC(OCCCCCCC)OCCCCCCC.
What is the InChIKey of (5Z,7E)-1,1-diheptoxydodeca-5,7-diene?
The InChIKey is RUDIQHMYSVHKIO-MSBKQZQESA-N. The full InChI is InChI=1S/C26H50O2/c1-4-7-10-13-14-15-16-17-20-23-26(27-24-21-18-11-8-5-2)28-25-22-19-12-9-6-3/h13-16,26H,4-12,17-25H2,1-3H3/b14-13+,16-15-.
What are the key properties of (5Z,7E)-1,1-diheptoxydodeca-5,7-diene?
(5Z,7E)-1,1-diheptoxydodeca-5,7-diene has a molecular weight of 394.68 g/mol, XLogP of 8.76, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-1,1-diheptoxydodeca-5,7-diene is sourced from PubChem (CID 170561608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).