(2S)-2-tridec-6-ynoxyoxane

C18H32O2 — CID 124565996

IUPAC(2S)-2-tridec-6-ynoxyoxane
SMILESCCCCCCC#CCCCCCO[C@H]1CCCCO1
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h18H,2-6,9-17H2,1H3/t18-/m1/s1
InChIKeyQDVGNCRNILZBMB-GOSISDBHSA-N
MW280.45 g/mol
LogP5.06
Rot. Bonds10

About (2S)-2-tridec-6-ynoxyoxane

(2S)-2-tridec-6-ynoxyoxane (PubChem CID 124565996) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (2S)-2-tridec-6-ynoxyoxane.

Molecular Properties

Compound Name(2S)-2-tridec-6-ynoxyoxane
PubChem CID124565996
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(2S)-2-tridec-6-ynoxyoxane
SMILESCCCCCCC#CCCCCCO[C@H]1CCCCO1
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h18H,2-6,9-17H2,1H3/t18-/m1/s1
InChIKeyQDVGNCRNILZBMB-GOSISDBHSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.06
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 (2S)-2-tridec-6-ynoxyoxane 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
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-octacosoxyoxane
CID 11214102
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-(13,13,14,14-tetradeuteriohexadec-8-ynoxy)oxane
CID 71479982
1-bromopentane;2-dodeca-5,11-diynoxyoxane;octa-1,7-diyne
CID 161441664
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
CID 125486244
2-[(4R)-4-(methoxymethoxy)octadec-9-ynoxy]oxane
CID 102157587
2-(9-iodonon-8-ynoxy)oxane
CID 558907
2-[(E)-undec-2-en-5-ynoxy]oxane
CID 134976144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tridec-6-ynoxyoxane?
The IUPAC name of (2S)-2-tridec-6-ynoxyoxane (CID 124565996) is (2S)-2-tridec-6-ynoxyoxane.
What is the SMILES notation for (2S)-2-tridec-6-ynoxyoxane?
The canonical SMILES for (2S)-2-tridec-6-ynoxyoxane is CCCCCCC#CCCCCCO[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-tridec-6-ynoxyoxane?
The InChIKey is QDVGNCRNILZBMB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h18H,2-6,9-17H2,1H3/t18-/m1/s1.
What are the key properties of (2S)-2-tridec-6-ynoxyoxane?
(2S)-2-tridec-6-ynoxyoxane has a molecular weight of 280.45 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tridec-6-ynoxyoxane is sourced from PubChem (CID 124565996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).