(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene

C22H42O2 — CID 146189754

IUPAC(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
SMILESCCCC/C=C\C=C\CCCCCCCC(OCCC)OCCC
InChIInChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23-20-5-2)24-21-6-3/h9-12,22H,4-8,13-21H2,1-3H3/b10-9-,12-11+
InChIKeyYYWUXAYEZYAUHQ-XAZJVICWSA-N
MW338.58 g/mol
LogP7.20
Rot. Bonds18

About (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene

(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene (PubChem CID 146189754) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene.

Molecular Properties

Compound Name(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
PubChem CID146189754
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
SMILESCCCC/C=C\C=C\CCCCCCCC(OCCC)OCCC
InChIInChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23-20-5-2)24-21-6-3/h9-12,22H,4-8,13-21H2,1-3H3/b10-9-,12-11+
InChIKeyYYWUXAYEZYAUHQ-XAZJVICWSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.20
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)-1,1-diheptoxydodeca-5,7-diene
CID 170561608
(5Z,7E)-13-octoxy-13-[(6E,8Z)-1-octoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350463
(3E,5Z,9Z)-16,16-dioctoxyhexadeca-3,5,9-triene
CID 165377062
(3E)-12,12-dibutoxydodeca-1,3-diene
CID 163205499
(3Z)-14,14-dibutoxytetradeca-1,3-diene
CID 163205845
(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
1,9,9-tripropoxynon-2-ene
CID 54274162
(5Z,7E)-13-ethoxy-13-[(6E,8Z)-1-ethoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350331
(Z)-1-chloro-11,11-dioctoxyundec-4-ene
CID 165175011
(Z)-1-chloro-14,14-dioctoxytetradec-3-ene
CID 163205372
(Z)-1-chloro-12,12-dihexoxydodec-3-ene
CID 163205362
13,13-dibutoxy-1-(13,13-dibutoxy-1-propoxytridec-2-enoxy)-1-propoxytridec-2-ene
CID 163287774

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene?
The IUPAC name of (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene (CID 146189754) is (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene.
What is the SMILES notation for (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene?
The canonical SMILES for (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene is CCCC/C=C\C=C\CCCCCCCC(OCCC)OCCC.
What is the InChIKey of (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene?
The InChIKey is YYWUXAYEZYAUHQ-XAZJVICWSA-N. The full InChI is InChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23-20-5-2)24-21-6-3/h9-12,22H,4-8,13-21H2,1-3H3/b10-9-,12-11+.
What are the key properties of (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene?
(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene has a molecular weight of 338.58 g/mol, XLogP of 7.20, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene is sourced from PubChem (CID 146189754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).