10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene

C32H60O3 — CID 54443502

IUPAC10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene
SMILESC=CCCCCCCCCOC(C)(OCCCCCCCCC=C)OCCCCCCCCC=C
InChIInChI=1S/C32H60O3/c1-5-8-11-14-17-20-23-26-29-33-32(4,34-30-27-24-21-18-15-12-9-6-2)35-31-28-25-22-19-16-13-10-7-3/h5-7H,1-3,8-31H2,4H3
InChIKeyWPUPWLPLDMTMML-UHFFFAOYSA-N
MW492.83 g/mol
LogP10.46
Rot. Bonds30

About 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene

10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene (PubChem CID 54443502) has the molecular formula C32H60O3 and a molecular weight of 492.83 g/mol. Its IUPAC name is 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene.

Molecular Properties

Compound Name10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene
PubChem CID54443502
Molecular FormulaC32H60O3
Molecular Weight492.83 g/mol
Exact Mass492.45
IUPAC Name10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene
SMILESC=CCCCCCCCCOC(C)(OCCCCCCCCC=C)OCCCCCCCCC=C
InChIInChI=1S/C32H60O3/c1-5-8-11-14-17-20-23-26-29-33-32(4,34-30-27-24-21-18-15-12-9-6-2)35-31-28-25-22-19-16-13-10-7-3/h5-7H,1-3,8-31H2,4H3
InChIKeyWPUPWLPLDMTMML-UHFFFAOYSA-N
XLogP10.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.83
LogP ≤ 510.46
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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Frequently Asked Questions

What is the IUPAC name of 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene?
The IUPAC name of 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene (CID 54443502) is 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene.
What is the SMILES notation for 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene?
The canonical SMILES for 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene is C=CCCCCCCCCOC(C)(OCCCCCCCCC=C)OCCCCCCCCC=C.
What is the InChIKey of 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene?
The InChIKey is WPUPWLPLDMTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60O3/c1-5-8-11-14-17-20-23-26-29-33-32(4,34-30-27-24-21-18-15-12-9-6-2)35-31-28-25-22-19-16-13-10-7-3/h5-7H,1-3,8-31H2,4H3.
What are the key properties of 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene?
10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene has a molecular weight of 492.83 g/mol, XLogP of 10.46, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1,1-bis(dec-9-enoxy)ethoxy]dec-1-ene is sourced from PubChem (CID 54443502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).