5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran

C15H26O — CID 143716614

IUPAC5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran
SMILESCCCC1CCCCCCC2=C1CCOC2
InChIInChI=1S/C15H26O/c1-2-7-13-8-5-3-4-6-9-14-12-16-11-10-15(13)14/h13H,2-12H2,1H3
InChIKeyGYSVCFNYBUMABN-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.47
Rot. Bonds2

About 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran

5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran (PubChem CID 143716614) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran.

Molecular Properties

Compound Name5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran
PubChem CID143716614
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran
SMILESCCCC1CCCCCCC2=C1CCOC2
InChIInChI=1S/C15H26O/c1-2-7-13-8-5-3-4-6-9-14-12-16-11-10-15(13)14/h13H,2-12H2,1H3
InChIKeyGYSVCFNYBUMABN-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.47
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 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran?
The IUPAC name of 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran (CID 143716614) is 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran.
What is the SMILES notation for 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran?
The canonical SMILES for 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran is CCCC1CCCCCCC2=C1CCOC2.
What is the InChIKey of 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran?
The InChIKey is GYSVCFNYBUMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-7-13-8-5-3-4-6-9-14-12-16-11-10-15(13)14/h13H,2-12H2,1H3.
What are the key properties of 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran?
5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran has a molecular weight of 222.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,3,4,5,6,7,8,9,10,11-decahydrocyclonona[c]pyran is sourced from PubChem (CID 143716614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).