9-(octoxymethoxy)non-1-yne

C18H34O2 — CID 156529699

IUPAC9-(octoxymethoxy)non-1-yne
SMILESC#CCCCCCCCOCOCCCCCCCC
InChIInChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17-20-18-19-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3
InChIKeyMFRTXMWESGQZLA-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.31
Rot. Bonds16

About 9-(octoxymethoxy)non-1-yne

9-(octoxymethoxy)non-1-yne (PubChem CID 156529699) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 9-(octoxymethoxy)non-1-yne.

Molecular Properties

Compound Name9-(octoxymethoxy)non-1-yne
PubChem CID156529699
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name9-(octoxymethoxy)non-1-yne
SMILESC#CCCCCCCCOCOCCCCCCCC
InChIInChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17-20-18-19-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3
InChIKeyMFRTXMWESGQZLA-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'triple_bond', 'substructure': 'N/A'}

Analyze 9-(octoxymethoxy)non-1-yne 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

9-(hexoxymethoxy)non-1-yne
CID 156529681
1-(pent-4-ynoxymethoxy)octane
CID 156529634
1-(but-3-ynoxymethoxy)hexane
CID 156529666
11-hexoxyundec-1-yne
CID 89349998
8-(ethoxymethoxy)oct-1-yne
CID 156529670
1-(prop-2-ynoxymethoxy)decane
CID 156529651
oct-1-yne
CID 19597608
CID 172706336
CID 172706336
5-(methoxymethoxy)pent-1-yne
CID 10725365
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 9-(octoxymethoxy)non-1-yne?
The IUPAC name of 9-(octoxymethoxy)non-1-yne (CID 156529699) is 9-(octoxymethoxy)non-1-yne.
What is the SMILES notation for 9-(octoxymethoxy)non-1-yne?
The canonical SMILES for 9-(octoxymethoxy)non-1-yne is C#CCCCCCCCOCOCCCCCCCC.
What is the InChIKey of 9-(octoxymethoxy)non-1-yne?
The InChIKey is MFRTXMWESGQZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17-20-18-19-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3.
What are the key properties of 9-(octoxymethoxy)non-1-yne?
9-(octoxymethoxy)non-1-yne has a molecular weight of 282.47 g/mol, XLogP of 5.31, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(octoxymethoxy)non-1-yne is sourced from PubChem (CID 156529699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).