9,9,9-trimethoxynon-1-ene

C12H24O3 — CID 141295340

IUPAC9,9,9-trimethoxynon-1-ene
SMILESC=CCCCCCCC(OC)(OC)OC
InChIInChI=1S/C12H24O3/c1-5-6-7-8-9-10-11-12(13-2,14-3)15-4/h5H,1,6-11H2,2-4H3
InChIKeyUJQRLBVWPRMYHC-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.11
Rot. Bonds10

About 9,9,9-trimethoxynon-1-ene

9,9,9-trimethoxynon-1-ene (PubChem CID 141295340) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 9,9,9-trimethoxynon-1-ene.

Molecular Properties

Compound Name9,9,9-trimethoxynon-1-ene
PubChem CID141295340
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name9,9,9-trimethoxynon-1-ene
SMILESC=CCCCCCCC(OC)(OC)OC
InChIInChI=1S/C12H24O3/c1-5-6-7-8-9-10-11-12(13-2,14-3)15-4/h5H,1,6-11H2,2-4H3
InChIKeyUJQRLBVWPRMYHC-UHFFFAOYSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9,9-trimethoxynon-1-ene?
The IUPAC name of 9,9,9-trimethoxynon-1-ene (CID 141295340) is 9,9,9-trimethoxynon-1-ene.
What is the SMILES notation for 9,9,9-trimethoxynon-1-ene?
The canonical SMILES for 9,9,9-trimethoxynon-1-ene is C=CCCCCCCC(OC)(OC)OC.
What is the InChIKey of 9,9,9-trimethoxynon-1-ene?
The InChIKey is UJQRLBVWPRMYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-6-7-8-9-10-11-12(13-2,14-3)15-4/h5H,1,6-11H2,2-4H3.
What are the key properties of 9,9,9-trimethoxynon-1-ene?
9,9,9-trimethoxynon-1-ene has a molecular weight of 216.32 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,9-trimethoxynon-1-ene is sourced from PubChem (CID 141295340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).