2-hexadeca-6,12-diynoxyoxane

C21H34O2 — CID 163386043

IUPAC2-hexadeca-6,12-diynoxyoxane
SMILESCCCC#CCCCCC#CCCCCCOC1CCCCO1
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-21-18-15-17-20-23-21/h21H,2-3,6-9,12-20H2,1H3
InChIKeyFJJWHNSOAJJVCM-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.46
Rot. Bonds10

About 2-hexadeca-6,12-diynoxyoxane

2-hexadeca-6,12-diynoxyoxane (PubChem CID 163386043) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-hexadeca-6,12-diynoxyoxane.

Molecular Properties

Compound Name2-hexadeca-6,12-diynoxyoxane
PubChem CID163386043
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name2-hexadeca-6,12-diynoxyoxane
SMILESCCCC#CCCCCC#CCCCCCOC1CCCCO1
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-21-18-15-17-20-23-21/h21H,2-3,6-9,12-20H2,1H3
InChIKeyFJJWHNSOAJJVCM-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexadeca-6,12-diynoxyoxane 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

2-heptadec-13-ynoxyoxane
CID 11099777
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-(13,13,14,14-tetradeuteriohexadec-8-ynoxy)oxane
CID 71479982
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
CID 125486244
2-octacosoxyoxane
CID 11214102
2-(9-iodonon-8-ynoxy)oxane
CID 558907
2-hex-2-ynoxyoxane
CID 11041365
1-bromopentane;2-dodeca-5,11-diynoxyoxane;octa-1,7-diyne
CID 161441664
2-[(4R)-4-(methoxymethoxy)octadec-9-ynoxy]oxane
CID 102157587
2-octadeca-2,5,8-triynoxyoxane
CID 11099965

Frequently Asked Questions

What is the IUPAC name of 2-hexadeca-6,12-diynoxyoxane?
The IUPAC name of 2-hexadeca-6,12-diynoxyoxane (CID 163386043) is 2-hexadeca-6,12-diynoxyoxane.
What is the SMILES notation for 2-hexadeca-6,12-diynoxyoxane?
The canonical SMILES for 2-hexadeca-6,12-diynoxyoxane is CCCC#CCCCCC#CCCCCCOC1CCCCO1.
What is the InChIKey of 2-hexadeca-6,12-diynoxyoxane?
The InChIKey is FJJWHNSOAJJVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-21-18-15-17-20-23-21/h21H,2-3,6-9,12-20H2,1H3.
What are the key properties of 2-hexadeca-6,12-diynoxyoxane?
2-hexadeca-6,12-diynoxyoxane has a molecular weight of 318.50 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadeca-6,12-diynoxyoxane is sourced from PubChem (CID 163386043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).