1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane

C19H32O2 — CID 59720792

IUPAC1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane
SMILESCCCC12CC(CC3CCC4OC4(CCC)C3)CCC1O2
InChIInChI=1S/C19H32O2/c1-3-9-18-12-14(5-7-16(18)20-18)11-15-6-8-17-19(13-15,21-17)10-4-2/h14-17H,3-13H2,1-2H3
InChIKeyKEXZYGVIXXBLIB-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.85
Rot. Bonds6

About 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane

1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 59720792) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID59720792
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane
SMILESCCCC12CC(CC3CCC4OC4(CCC)C3)CCC1O2
InChIInChI=1S/C19H32O2/c1-3-9-18-12-14(5-7-16(18)20-18)11-15-6-8-17-19(13-15,21-17)10-4-2/h14-17H,3-13H2,1-2H3
InChIKeyKEXZYGVIXXBLIB-UHFFFAOYSA-N
XLogP4.85
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane (CID 59720792) is 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane is CCCC12CC(CC3CCC4OC4(CCC)C3)CCC1O2.
What is the InChIKey of 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is KEXZYGVIXXBLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-3-9-18-12-14(5-7-16(18)20-18)11-15-6-8-17-19(13-15,21-17)10-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane?
1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 292.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59720792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).