5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran

C18H30O — CID 143716492

IUPAC5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran
SMILESCCCC1CCCCCC(CCC)C2=C1C=CCO2
InChIInChI=1S/C18H30O/c1-3-9-15-11-6-5-7-12-16(10-4-2)18-17(15)13-8-14-19-18/h8,13,15-16H,3-7,9-12,14H2,1-2H3
InChIKeyJQQFDXDXRMHYRA-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.62
Rot. Bonds4

About 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran

5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran (PubChem CID 143716492) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran.

Molecular Properties

Compound Name5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran
PubChem CID143716492
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran
SMILESCCCC1CCCCCC(CCC)C2=C1C=CCO2
InChIInChI=1S/C18H30O/c1-3-9-15-11-6-5-7-12-16(10-4-2)18-17(15)13-8-14-19-18/h8,13,15-16H,3-7,9-12,14H2,1-2H3
InChIKeyJQQFDXDXRMHYRA-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran?
The IUPAC name of 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran (CID 143716492) is 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran.
What is the SMILES notation for 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran?
The canonical SMILES for 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran is CCCC1CCCCCC(CCC)C2=C1C=CCO2.
What is the InChIKey of 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran?
The InChIKey is JQQFDXDXRMHYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-9-15-11-6-5-7-12-16(10-4-2)18-17(15)13-8-14-19-18/h8,13,15-16H,3-7,9-12,14H2,1-2H3.
What are the key properties of 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran?
5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran has a molecular weight of 262.44 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dipropyl-2,5,6,7,8,9,10,11-octahydrocyclonona[b]pyran is sourced from PubChem (CID 143716492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).