(2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane

C18H26O2 — CID 10731551

IUPAC(2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane
SMILES[2H]c1c([2H])c([2H])c(C[C@@H]2CCC[C@@H](CC3(C)CCC([2H])([2H])O3)O2)c([2H])c1[2H]
InChIInChI=1S/C18H26O2/c1-18(11-6-12-19-18)14-17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17-,18?/m0/s1/i2D,3D,4D,7D,8D,12D2
InChIKeyKOZSBHZZGOCHSE-PRAVEIPKSA-N
MW281.45 g/mol
LogP4.13
Rot. Bonds4

About (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane

(2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane (PubChem CID 10731551) has the molecular formula C18H26O2 and a molecular weight of 281.45 g/mol. Its IUPAC name is (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane.

Molecular Properties

Compound Name(2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane
PubChem CID10731551
Molecular FormulaC18H26O2
Molecular Weight281.45 g/mol
Exact Mass281.24
IUPAC Name(2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane
SMILES[2H]c1c([2H])c([2H])c(C[C@@H]2CCC[C@@H](CC3(C)CCC([2H])([2H])O3)O2)c([2H])c1[2H]
InChIInChI=1S/C18H26O2/c1-18(11-6-12-19-18)14-17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17-,18?/m0/s1/i2D,3D,4D,7D,8D,12D2
InChIKeyKOZSBHZZGOCHSE-PRAVEIPKSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane?
The IUPAC name of (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane (CID 10731551) is (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane.
What is the SMILES notation for (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane?
The canonical SMILES for (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane is [2H]c1c([2H])c([2H])c(C[C@@H]2CCC[C@@H](CC3(C)CCC([2H])([2H])O3)O2)c([2H])c1[2H].
What is the InChIKey of (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane?
The InChIKey is KOZSBHZZGOCHSE-PRAVEIPKSA-N. The full InChI is InChI=1S/C18H26O2/c1-18(11-6-12-19-18)14-17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17-,18?/m0/s1/i2D,3D,4D,7D,8D,12D2.
What are the key properties of (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane?
(2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane has a molecular weight of 281.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane is sourced from PubChem (CID 10731551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).