3-pent-2-ynoxydec-1-ene

C15H26O — CID 135040882

IUPAC3-pent-2-ynoxydec-1-ene
SMILESC=CC(CCCCCCC)OCC#CCC
InChIInChI=1S/C15H26O/c1-4-7-9-10-11-13-15(6-3)16-14-12-8-5-2/h6,15H,3-5,7,9-11,13-14H2,1-2H3
InChIKeyJQMDGHTWINQFCD-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.33
Rot. Bonds9

About 3-pent-2-ynoxydec-1-ene

3-pent-2-ynoxydec-1-ene (PubChem CID 135040882) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-pent-2-ynoxydec-1-ene.

Molecular Properties

Compound Name3-pent-2-ynoxydec-1-ene
PubChem CID135040882
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-pent-2-ynoxydec-1-ene
SMILESC=CC(CCCCCCC)OCC#CCC
InChIInChI=1S/C15H26O/c1-4-7-9-10-11-13-15(6-3)16-14-12-8-5-2/h6,15H,3-5,7,9-11,13-14H2,1-2H3
InChIKeyJQMDGHTWINQFCD-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-pent-2-ynoxydec-1-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

1-Nonen-3-ol, methyl ether
CID 12563924
3-Methoxyoct-1-ene
CID 20320211
3-Prop-2-enoxyoct-1-yne
CID 11126647
2-Ethenyl-3-octyloxirane
CID 11332855
4-Prop-2-enoxynon-1-ene
CID 11480845
2-Prop-2-enoxyoctane
CID 14970998
(2S,3S)-2-ethenyl-3-heptyloxirane
CID 57702326
3-Methoxyundec-1-ene
CID 71428313
3-Methoxydodec-1-ene
CID 134895994
(2S,3R)-2-decyl-3-ethenyloxirane
CID 10608538
(3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene
CID 11627971
(2R,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne
CID 11641936

Frequently Asked Questions

What is the IUPAC name of 3-pent-2-ynoxydec-1-ene?
The IUPAC name of 3-pent-2-ynoxydec-1-ene (CID 135040882) is 3-pent-2-ynoxydec-1-ene.
What is the SMILES notation for 3-pent-2-ynoxydec-1-ene?
The canonical SMILES for 3-pent-2-ynoxydec-1-ene is C=CC(CCCCCCC)OCC#CCC.
What is the InChIKey of 3-pent-2-ynoxydec-1-ene?
The InChIKey is JQMDGHTWINQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-4-7-9-10-11-13-15(6-3)16-14-12-8-5-2/h6,15H,3-5,7,9-11,13-14H2,1-2H3.
What are the key properties of 3-pent-2-ynoxydec-1-ene?
3-pent-2-ynoxydec-1-ene has a molecular weight of 222.37 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-2-ynoxydec-1-ene is sourced from PubChem (CID 135040882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).