2-prop-2-enyl-oxacyclooctadecane

C20H38O — CID 134917704

IUPAC2-prop-2-enyl-oxacyclooctadecane
SMILESC=CCC1CCCCCCCCCCCCCCCCO1
InChIInChI=1S/C20H38O/c1-2-17-20-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-21-20/h2,20H,1,3-19H2
InChIKeyQFAJVMQXDONPLD-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.81
Rot. Bonds2

About 2-prop-2-enyl-oxacyclooctadecane

2-prop-2-enyl-oxacyclooctadecane (PubChem CID 134917704) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 2-prop-2-enyl-oxacyclooctadecane.

Molecular Properties

Compound Name2-prop-2-enyl-oxacyclooctadecane
PubChem CID134917704
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name2-prop-2-enyl-oxacyclooctadecane
SMILESC=CCC1CCCCCCCCCCCCCCCCO1
InChIInChI=1S/C20H38O/c1-2-17-20-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-21-20/h2,20H,1,3-19H2
InChIKeyQFAJVMQXDONPLD-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-oxacyclooctadecane?
The IUPAC name of 2-prop-2-enyl-oxacyclooctadecane (CID 134917704) is 2-prop-2-enyl-oxacyclooctadecane.
What is the SMILES notation for 2-prop-2-enyl-oxacyclooctadecane?
The canonical SMILES for 2-prop-2-enyl-oxacyclooctadecane is C=CCC1CCCCCCCCCCCCCCCCO1.
What is the InChIKey of 2-prop-2-enyl-oxacyclooctadecane?
The InChIKey is QFAJVMQXDONPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-2-17-20-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-21-20/h2,20H,1,3-19H2.
What are the key properties of 2-prop-2-enyl-oxacyclooctadecane?
2-prop-2-enyl-oxacyclooctadecane has a molecular weight of 294.52 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-oxacyclooctadecane is sourced from PubChem (CID 134917704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).