(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol

C14H28O4 — CID 10400448

IUPAC(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol
SMILES[2H]C(C)[C@](O)(CO)CC[C@@H](C)COC1CCCCO1
InChIInChI=1S/C14H28O4/c1-3-14(16,11-15)8-7-12(2)10-18-13-6-4-5-9-17-13/h12-13,15-16H,3-11H2,1-2H3/t12-,13?,14-/m1/s1/i3D/t3?,12-,13?,14-
InChIKeyWKTJOMZJFUKZMH-BWFXJBKQSA-N
MW261.38 g/mol
LogP2.08
Rot. Bonds8

About (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol

(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol (PubChem CID 10400448) has the molecular formula C14H28O4 and a molecular weight of 261.38 g/mol. Its IUPAC name is (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol.

Molecular Properties

Compound Name(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol
PubChem CID10400448
Molecular FormulaC14H28O4
Molecular Weight261.38 g/mol
Exact Mass261.21
IUPAC Name(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol
SMILES[2H]C(C)[C@](O)(CO)CC[C@@H](C)COC1CCCCO1
InChIInChI=1S/C14H28O4/c1-3-14(16,11-15)8-7-12(2)10-18-13-6-4-5-9-17-13/h12-13,15-16H,3-11H2,1-2H3/t12-,13?,14-/m1/s1/i3D/t3?,12-,13?,14-
InChIKeyWKTJOMZJFUKZMH-BWFXJBKQSA-N
XLogP2.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol with MolForge

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Related Compounds

2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
CID 158281779
[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
CID 10400301
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-(2-propylpentoxy)oxane
CID 175998246
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
(4S)-4-[(1R)-1-deuterioethyl]-4-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]-1,3-dioxolane-2-thione
CID 10447718

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol?
The IUPAC name of (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol (CID 10400448) is (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol.
What is the SMILES notation for (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol?
The canonical SMILES for (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol is [2H]C(C)[C@](O)(CO)CC[C@@H](C)COC1CCCCO1.
What is the InChIKey of (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol?
The InChIKey is WKTJOMZJFUKZMH-BWFXJBKQSA-N. The full InChI is InChI=1S/C14H28O4/c1-3-14(16,11-15)8-7-12(2)10-18-13-6-4-5-9-17-13/h12-13,15-16H,3-11H2,1-2H3/t12-,13?,14-/m1/s1/i3D/t3?,12-,13?,14-.
What are the key properties of (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol?
(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol has a molecular weight of 261.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol is sourced from PubChem (CID 10400448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).