propan-2-yloxymethoxycyclononane

C13H26O2 — CID 21496351

IUPACpropan-2-yloxymethoxycyclononane
SMILESCC(C)OCOC1CCCCCCCC1
InChIInChI=1S/C13H26O2/c1-12(2)14-11-15-13-9-7-5-3-4-6-8-10-13/h12-13H,3-11H2,1-2H3
InChIKeyXZQGNYYHOSLFBT-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.89
Rot. Bonds4

About propan-2-yloxymethoxycyclononane

propan-2-yloxymethoxycyclononane (PubChem CID 21496351) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is propan-2-yloxymethoxycyclononane.

Molecular Properties

Compound Namepropan-2-yloxymethoxycyclononane
PubChem CID21496351
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Namepropan-2-yloxymethoxycyclononane
SMILESCC(C)OCOC1CCCCCCCC1
InChIInChI=1S/C13H26O2/c1-12(2)14-11-15-13-9-7-5-3-4-6-8-10-13/h12-13H,3-11H2,1-2H3
InChIKeyXZQGNYYHOSLFBT-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexyloxymethoxy)propan-1-ol
CID 20698641
2-cyclopentyloxy-N-(2-propan-2-yloxyethyl)ethanamine
CID 63826960
(2-methylpropan-2-yl)oxymethoxycyclohexane
CID 15032741
1-cyclododecyloxypropan-2-ol
CID 54403914
ethoxycyclooctane
CID 13427982
propan-2-yloxycycloundecane
CID 91254526
1-(1-cyclohexyloxypropan-2-yloxy)propan-2-yloxycyclohexane
CID 139806384
azane;ethoxycyclooctane
CID 70271275
6-methylheptoxycyclohexane
CID 66984925
2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
CID 104749178
2-propan-2-yloxyethylcycloheptane
CID 123201160
propoxycyclooctane
CID 54078990

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxymethoxycyclononane?
The IUPAC name of propan-2-yloxymethoxycyclononane (CID 21496351) is propan-2-yloxymethoxycyclononane.
What is the SMILES notation for propan-2-yloxymethoxycyclononane?
The canonical SMILES for propan-2-yloxymethoxycyclononane is CC(C)OCOC1CCCCCCCC1.
What is the InChIKey of propan-2-yloxymethoxycyclononane?
The InChIKey is XZQGNYYHOSLFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2)14-11-15-13-9-7-5-3-4-6-8-10-13/h12-13H,3-11H2,1-2H3.
What are the key properties of propan-2-yloxymethoxycyclononane?
propan-2-yloxymethoxycyclononane has a molecular weight of 214.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxymethoxycyclononane is sourced from PubChem (CID 21496351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).