(Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene

C39H76O2 — CID 15056902

IUPAC(Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOCC(C)OCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C39H76O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-38-39(3)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39H,4-17,22-38H2,1-3H3/b20-18-,21-19-
InChIKeyKMXSHWZDDJKWRQ-AUYXYSRISA-N
MW577.04 g/mol
LogP13.48
Rot. Bonds35

About (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene

(Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene (PubChem CID 15056902) has the molecular formula C39H76O2 and a molecular weight of 577.04 g/mol. Its IUPAC name is (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene.

Molecular Properties

Compound Name(Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene
PubChem CID15056902
Molecular FormulaC39H76O2
Molecular Weight577.04 g/mol
Exact Mass576.58
IUPAC Name(Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOCC(C)OCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C39H76O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-38-39(3)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39H,4-17,22-38H2,1-3H3/b20-18-,21-19-
InChIKeyKMXSHWZDDJKWRQ-AUYXYSRISA-N
XLogP13.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.04
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene?
The IUPAC name of (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene (CID 15056902) is (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene.
What is the SMILES notation for (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene?
The canonical SMILES for (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene is CCCCCCCC/C=C\CCCCCCCCOCC(C)OCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene?
The InChIKey is KMXSHWZDDJKWRQ-AUYXYSRISA-N. The full InChI is InChI=1S/C39H76O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-38-39(3)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39H,4-17,22-38H2,1-3H3/b20-18-,21-19-.
What are the key properties of (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene?
(Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene has a molecular weight of 577.04 g/mol, XLogP of 13.48, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[(Z)-octadec-9-enoxy]propoxy]octadec-9-ene is sourced from PubChem (CID 15056902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).