2-nonadec-1-en-2-yloxynonadec-1-ene

C38H74O — CID 19091116

IUPAC2-nonadec-1-en-2-yloxynonadec-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H74O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(3)39-38(4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-36H2,1-2H3
InChIKeyNEJJZVRBHQUTQL-UHFFFAOYSA-N
MW547.01 g/mol
LogP14.55
Rot. Bonds34

About 2-nonadec-1-en-2-yloxynonadec-1-ene

2-nonadec-1-en-2-yloxynonadec-1-ene (PubChem CID 19091116) has the molecular formula C38H74O and a molecular weight of 547.01 g/mol. Its IUPAC name is 2-nonadec-1-en-2-yloxynonadec-1-ene.

Molecular Properties

Compound Name2-nonadec-1-en-2-yloxynonadec-1-ene
PubChem CID19091116
Molecular FormulaC38H74O
Molecular Weight547.01 g/mol
Exact Mass546.57
IUPAC Name2-nonadec-1-en-2-yloxynonadec-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H74O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(3)39-38(4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-36H2,1-2H3
InChIKeyNEJJZVRBHQUTQL-UHFFFAOYSA-N
XLogP14.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.01
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nonadec-1-en-2-yloxynonadec-1-ene?
The IUPAC name of 2-nonadec-1-en-2-yloxynonadec-1-ene (CID 19091116) is 2-nonadec-1-en-2-yloxynonadec-1-ene.
What is the SMILES notation for 2-nonadec-1-en-2-yloxynonadec-1-ene?
The canonical SMILES for 2-nonadec-1-en-2-yloxynonadec-1-ene is C=C(CCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-nonadec-1-en-2-yloxynonadec-1-ene?
The InChIKey is NEJJZVRBHQUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(3)39-38(4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-36H2,1-2H3.
What are the key properties of 2-nonadec-1-en-2-yloxynonadec-1-ene?
2-nonadec-1-en-2-yloxynonadec-1-ene has a molecular weight of 547.01 g/mol, XLogP of 14.55, 34 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonadec-1-en-2-yloxynonadec-1-ene is sourced from PubChem (CID 19091116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).