1,9,9-tripropoxynon-2-ene

C18H36O3 — CID 54274162

IUPAC1,9,9-tripropoxynon-2-ene
SMILESCCCOCC=CCCCCCC(OCCC)OCCC
InChIInChI=1S/C18H36O3/c1-4-14-19-17-12-10-8-7-9-11-13-18(20-15-5-2)21-16-6-3/h10,12,18H,4-9,11,13-17H2,1-3H3
InChIKeyRMFZQMVYBWXKIS-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.10
Rot. Bonds16

About 1,9,9-tripropoxynon-2-ene

1,9,9-tripropoxynon-2-ene (PubChem CID 54274162) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 1,9,9-tripropoxynon-2-ene.

Molecular Properties

Compound Name1,9,9-tripropoxynon-2-ene
PubChem CID54274162
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name1,9,9-tripropoxynon-2-ene
SMILESCCCOCC=CCCCCCC(OCCC)OCCC
InChIInChI=1S/C18H36O3/c1-4-14-19-17-12-10-8-7-9-11-13-18(20-15-5-2)21-16-6-3/h10,12,18H,4-9,11,13-17H2,1-3H3
InChIKeyRMFZQMVYBWXKIS-UHFFFAOYSA-N
XLogP5.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.10
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'}

Analyze 1,9,9-tripropoxynon-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
CID 146189754
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene
CID 162350636
1-ethoxy-1-(1-ethoxy-13,13-dipropoxytridec-2-enoxy)-13,13-dipropoxytridec-2-ene
CID 163287964
13,13-dibutoxy-1-(13,13-dibutoxy-1-propoxytridec-2-enoxy)-1-propoxytridec-2-ene
CID 163287774
1-butoxy-1-(1-butoxy-15,15-dipropoxypentadec-2-enoxy)-15,15-dipropoxypentadec-2-ene
CID 163287687
[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide
CID 175312569
1-(13,13-dioctoxy-1-propoxytridec-2-enoxy)-13,13-dioctoxy-1-propoxytridec-2-ene
CID 163287978
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
(Z)-11,11-dibutoxyundec-3-en-1-ol
CID 163205863
(Z)-18,18-dibutoxyoctadec-3-en-1-ol
CID 163205378

Frequently Asked Questions

What is the IUPAC name of 1,9,9-tripropoxynon-2-ene?
The IUPAC name of 1,9,9-tripropoxynon-2-ene (CID 54274162) is 1,9,9-tripropoxynon-2-ene.
What is the SMILES notation for 1,9,9-tripropoxynon-2-ene?
The canonical SMILES for 1,9,9-tripropoxynon-2-ene is CCCOCC=CCCCCCC(OCCC)OCCC.
What is the InChIKey of 1,9,9-tripropoxynon-2-ene?
The InChIKey is RMFZQMVYBWXKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-4-14-19-17-12-10-8-7-9-11-13-18(20-15-5-2)21-16-6-3/h10,12,18H,4-9,11,13-17H2,1-3H3.
What are the key properties of 1,9,9-tripropoxynon-2-ene?
1,9,9-tripropoxynon-2-ene has a molecular weight of 300.48 g/mol, XLogP of 5.10, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,9-tripropoxynon-2-ene is sourced from PubChem (CID 54274162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).