2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane

C19H30O4 — CID 22336653

IUPAC2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane
SMILESC1=CC2CC1C(COC1CCCCO1)C2COC1CCCCO1
InChIInChI=1S/C19H30O4/c1-3-9-20-18(5-1)22-12-16-14-7-8-15(11-14)17(16)13-23-19-6-2-4-10-21-19/h7-8,14-19H,1-6,9-13H2
InChIKeySDLCQBBBRUKUHU-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.51
Rot. Bonds6

About 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane

2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane (PubChem CID 22336653) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane.

Molecular Properties

Compound Name2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane
PubChem CID22336653
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane
SMILESC1=CC2CC1C(COC1CCCCO1)C2COC1CCCCO1
InChIInChI=1S/C19H30O4/c1-3-9-20-18(5-1)22-12-16-14-7-8-15(11-14)17(16)13-23-19-6-2-4-10-21-19/h7-8,14-19H,1-6,9-13H2
InChIKeySDLCQBBBRUKUHU-UHFFFAOYSA-N
XLogP3.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane?
The IUPAC name of 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane (CID 22336653) is 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane.
What is the SMILES notation for 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane?
The canonical SMILES for 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane is C1=CC2CC1C(COC1CCCCO1)C2COC1CCCCO1.
What is the InChIKey of 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane?
The InChIKey is SDLCQBBBRUKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-3-9-20-18(5-1)22-12-16-14-7-8-15(11-14)17(16)13-23-19-6-2-4-10-21-19/h7-8,14-19H,1-6,9-13H2.
What are the key properties of 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane?
2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane has a molecular weight of 322.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane is sourced from PubChem (CID 22336653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).