cyclononane;cyclononanone;methane;oxolane

C23H46O2 — CID 158546571

IUPACcyclononane;cyclononanone;methane;oxolane
SMILESC.C1CCCCCCCC1.C1CCOC1.O=C1CCCCCCCC1
InChIInChI=1S/C9H16O.C9H18.C4H8O.CH4/c10-9-7-5-3-1-2-4-6-8-9;1-2-4-6-8-9-7-5-3-1;1-2-4-5-3-1;/h1-8H2;1-9H2;1-4H2;1H4
InChIKeyHPELZRBIYIOCTQ-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.63
Rot. Bonds

About cyclononane;cyclononanone;methane;oxolane

cyclononane;cyclononanone;methane;oxolane (PubChem CID 158546571) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is cyclononane;cyclononanone;methane;oxolane.

Molecular Properties

Compound Namecyclononane;cyclononanone;methane;oxolane
PubChem CID158546571
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Namecyclononane;cyclononanone;methane;oxolane
SMILESC.C1CCCCCCCC1.C1CCOC1.O=C1CCCCCCCC1
InChIInChI=1S/C9H16O.C9H18.C4H8O.CH4/c10-9-7-5-3-1-2-4-6-8-9;1-2-4-6-8-9-7-5-3-1;1-2-4-5-3-1;/h1-8H2;1-9H2;1-4H2;1H4
InChIKeyHPELZRBIYIOCTQ-UHFFFAOYSA-N
XLogP7.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 168890521
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oxacyclohexadecane-3,11-dione
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cyclohexanone;oxan-3-one
CID 158530231
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
oxecan-3-one
CID 172740558
oxacycloundecan-3-one
CID 150542000
cyclopentadecanone;morpholine
CID 163448684
azane;cyclononanone
CID 172719607
cyclohexane;cyclohexanone;sulfane
CID 175236228
methane;oxonane
CID 173264202

Frequently Asked Questions

What is the IUPAC name of cyclononane;cyclononanone;methane;oxolane?
The IUPAC name of cyclononane;cyclononanone;methane;oxolane (CID 158546571) is cyclononane;cyclononanone;methane;oxolane.
What is the SMILES notation for cyclononane;cyclononanone;methane;oxolane?
The canonical SMILES for cyclononane;cyclononanone;methane;oxolane is C.C1CCCCCCCC1.C1CCOC1.O=C1CCCCCCCC1.
What is the InChIKey of cyclononane;cyclononanone;methane;oxolane?
The InChIKey is HPELZRBIYIOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C9H18.C4H8O.CH4/c10-9-7-5-3-1-2-4-6-8-9;1-2-4-6-8-9-7-5-3-1;1-2-4-5-3-1;/h1-8H2;1-9H2;1-4H2;1H4.
What are the key properties of cyclononane;cyclononanone;methane;oxolane?
cyclononane;cyclononanone;methane;oxolane has a molecular weight of 354.62 g/mol, XLogP of 7.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononane;cyclononanone;methane;oxolane is sourced from PubChem (CID 158546571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).