2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane

C16H32O2 — CID 11184433

IUPAC2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)OC1CCCCO1
InChIInChI=1S/C16H32O2/c1-5-8-13(2)11-14(3)12-15(4)18-16-9-6-7-10-17-16/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16?/m0/s1
InChIKeyRYPDFMGTLAWXNM-HEHBBPHXSA-N
MW256.43 g/mol
LogP4.77
Rot. Bonds8

About 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane

2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane (PubChem CID 11184433) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane
PubChem CID11184433
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)OC1CCCCO1
InChIInChI=1S/C16H32O2/c1-5-8-13(2)11-14(3)12-15(4)18-16-9-6-7-10-17-16/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16?/m0/s1
InChIKeyRYPDFMGTLAWXNM-HEHBBPHXSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane 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-butan-2-yloxyoxane
CID 559028
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
2-(oxan-2-yloxy)propylhydrazine
CID 175028715
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
CID 98010095
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
CID 102392953
3-(oxan-2-yloxy)butanoic acid
CID 14279636

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane?
The IUPAC name of 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane (CID 11184433) is 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane.
What is the SMILES notation for 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane?
The canonical SMILES for 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane is CCC[C@H](C)C[C@H](C)C[C@H](C)OC1CCCCO1.
What is the InChIKey of 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane?
The InChIKey is RYPDFMGTLAWXNM-HEHBBPHXSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-8-13(2)11-14(3)12-15(4)18-16-9-6-7-10-17-16/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16?/m0/s1.
What are the key properties of 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane?
2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane has a molecular weight of 256.43 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane is sourced from PubChem (CID 11184433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).