14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene

C32H60Cl2O3 — CID 163288002

IUPAC14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene
SMILESCCOC(CCC=CCCCCCCCCCCl)OC(CCC=CCCCCCCCCCCl)OCC
InChIInChI=1S/C32H60Cl2O3/c1-3-35-31(27-23-19-15-11-7-5-9-13-17-21-25-29-33)37-32(36-4-2)28-24-20-16-12-8-6-10-14-18-22-26-30-34/h15-16,19-20,31-32H,3-14,17-18,21-30H2,1-2H3
InChIKeySANHZMSPSIUREN-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.12
Rot. Bonds30

About 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene

14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene (PubChem CID 163288002) has the molecular formula C32H60Cl2O3 and a molecular weight of 563.74 g/mol. Its IUPAC name is 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene.

Molecular Properties

Compound Name14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene
PubChem CID163288002
Molecular FormulaC32H60Cl2O3
Molecular Weight563.74 g/mol
Exact Mass562.39
IUPAC Name14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene
SMILESCCOC(CCC=CCCCCCCCCCCl)OC(CCC=CCCCCCCCCCCl)OCC
InChIInChI=1S/C32H60Cl2O3/c1-3-35-31(27-23-19-15-11-7-5-9-13-17-21-25-29-33)37-32(36-4-2)28-24-20-16-12-8-6-10-14-18-22-26-30-34/h15-16,19-20,31-32H,3-14,17-18,21-30H2,1-2H3
InChIKeySANHZMSPSIUREN-UHFFFAOYSA-N
XLogP11.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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

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CID 163287739
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1-ethoxy-1-(1-ethoxy-13-iodotridec-4-enoxy)-13-iodotridec-4-ene
CID 163287899
1-ethoxy-1-(1-ethoxy-11-iodoundec-4-enoxy)-11-iodoundec-4-ene
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(5Z,7E)-13-ethoxy-13-[(6E,8Z)-1-ethoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350331
(4Z,14Z)-1-butoxy-1-[(4Z,14Z)-1-butoxynonadeca-4,14-dienoxy]nonadeca-4,14-diene
CID 175229325
16,16-diethoxyhexadec-3-ene
CID 91492223
1,17-dichloroheptadec-8-ene
CID 168864753
(E)-1-chloroheptadec-7-ene
CID 5364485
(Z)-10-chlorodec-4-ene
CID 14373086
1-chlorooctadec-9-ene
CID 558046
(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
CID 175053580

Frequently Asked Questions

What is the IUPAC name of 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene?
The IUPAC name of 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene (CID 163288002) is 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene.
What is the SMILES notation for 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene?
The canonical SMILES for 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene is CCOC(CCC=CCCCCCCCCCCl)OC(CCC=CCCCCCCCCCCl)OCC.
What is the InChIKey of 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene?
The InChIKey is SANHZMSPSIUREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60Cl2O3/c1-3-35-31(27-23-19-15-11-7-5-9-13-17-21-25-29-33)37-32(36-4-2)28-24-20-16-12-8-6-10-14-18-22-26-30-34/h15-16,19-20,31-32H,3-14,17-18,21-30H2,1-2H3.
What are the key properties of 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene?
14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene has a molecular weight of 563.74 g/mol, XLogP of 11.12, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-1-(14-chloro-1-ethoxytetradec-4-enoxy)-1-ethoxytetradec-4-ene is sourced from PubChem (CID 163288002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).