1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane

C25H48O2 — CID 163205818

IUPAC1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane
SMILESC=C/C=C\CCC(OCCCCCCCCC)OCCCCCCCCC
InChIInChI=1S/C25H48O2/c1-4-7-10-13-15-17-20-23-26-25(22-19-12-9-6-3)27-24-21-18-16-14-11-8-5-2/h6,9,12,25H,3-5,7-8,10-11,13-24H2,1-2H3/b12-9-
InChIKeySSQRJSIOEQKZSO-XFXZXTDPSA-N
MW380.66 g/mol
LogP8.37
Rot. Bonds22

About 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane

1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane (PubChem CID 163205818) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane.

Molecular Properties

Compound Name1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane
PubChem CID163205818
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Name1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane
SMILESC=C/C=C\CCC(OCCCCCCCCC)OCCCCCCCCC
InChIInChI=1S/C25H48O2/c1-4-7-10-13-15-17-20-23-26-25(22-19-12-9-6-3)27-24-21-18-16-14-11-8-5-2/h6,9,12,25H,3-5,7-8,10-11,13-24H2,1-2H3/b12-9-
InChIKeySSQRJSIOEQKZSO-XFXZXTDPSA-N
XLogP8.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 58.37
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

(3E)-12,12-dibutoxydodeca-1,3-diene
CID 163205499
(3Z)-14,14-dibutoxytetradeca-1,3-diene
CID 163205845
(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
CID 170561608
(3Z)-7,7-diethoxyhepta-1,3-diene
CID 163205336
1-(6,6-dihexoxy-1-pentoxyhex-2-enoxy)-6,6-dihexoxy-1-pentoxyhex-2-ene
CID 162350663
1-butoxy-1-(1-butoxy-6,6-dihexoxyhex-2-enoxy)-6,6-dihexoxyhex-2-ene
CID 162350324
1-(5,5-dihexoxypent-1-enoxymethoxy)octane
CID 162392615
1-[6-(6,6-dioctoxy-1-propoxyhex-2-enoxy)-1-octoxy-6-propoxyhex-4-enoxy]octane
CID 162350578
1-[6-ethoxy-6-(1-ethoxy-6,6-diheptoxyhex-2-enoxy)-1-heptoxyhex-4-enoxy]heptane
CID 162350456
(3E,5Z,9Z)-16,16-dioctoxyhexadeca-3,5,9-triene
CID 165377062
(5Z,7E)-13-octoxy-13-[(6E,8Z)-1-octoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350463
(Z)-1-chloro-14,14-dioctoxytetradec-3-ene
CID 163205372

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane?
The IUPAC name of 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane (CID 163205818) is 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane.
What is the SMILES notation for 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane?
The canonical SMILES for 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane is C=C/C=C\CCC(OCCCCCCCCC)OCCCCCCCCC.
What is the InChIKey of 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane?
The InChIKey is SSQRJSIOEQKZSO-XFXZXTDPSA-N. The full InChI is InChI=1S/C25H48O2/c1-4-7-10-13-15-17-20-23-26-25(22-19-12-9-6-3)27-24-21-18-16-14-11-8-5-2/h6,9,12,25H,3-5,7-8,10-11,13-24H2,1-2H3/b12-9-.
What are the key properties of 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane?
1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane has a molecular weight of 380.66 g/mol, XLogP of 8.37, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane is sourced from PubChem (CID 163205818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).