1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene

C32H58O3 — CID 142714969

IUPAC1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene
SMILESCCCCCC=CCCCC=CCCC(OC)OC(CCC=CCCCC=CCCCCC)OC
InChIInChI=1S/C32H58O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33-3)35-32(34-4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,23-26,31-32H,5-12,17-22,27-30H2,1-4H3
InChIKeyAORFAWOMRFBLJK-UHFFFAOYSA-N
MW490.81 g/mol
LogP10.23
Rot. Bonds26

About 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene

1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene (PubChem CID 142714969) has the molecular formula C32H58O3 and a molecular weight of 490.81 g/mol. Its IUPAC name is 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene.

Molecular Properties

Compound Name1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene
PubChem CID142714969
Molecular FormulaC32H58O3
Molecular Weight490.81 g/mol
Exact Mass490.44
IUPAC Name1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene
SMILESCCCCCC=CCCCC=CCCC(OC)OC(CCC=CCCCC=CCCCCC)OC
InChIInChI=1S/C32H58O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33-3)35-32(34-4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,23-26,31-32H,5-12,17-22,27-30H2,1-4H3
InChIKeyAORFAWOMRFBLJK-UHFFFAOYSA-N
XLogP10.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.81
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
(4Z,14Z)-1-butoxy-1-[(4Z,14Z)-1-butoxynonadeca-4,14-dienoxy]nonadeca-4,14-diene
CID 175229325
(E)-1,1,8,8-tetramethoxyoct-4-ene
CID 15239126
(Z)-14-methoxypentadec-7-ene
CID 87205017
nonacos-6-ene
CID 25200821
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene?
The IUPAC name of 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene (CID 142714969) is 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene.
What is the SMILES notation for 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene?
The canonical SMILES for 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene is CCCCCC=CCCCC=CCCC(OC)OC(CCC=CCCCC=CCCCCC)OC.
What is the InChIKey of 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene?
The InChIKey is AORFAWOMRFBLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33-3)35-32(34-4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,23-26,31-32H,5-12,17-22,27-30H2,1-4H3.
What are the key properties of 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene?
1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene has a molecular weight of 490.81 g/mol, XLogP of 10.23, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene is sourced from PubChem (CID 142714969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).