2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol

C18H36O5 — CID 171469941

IUPAC2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCC(C)(C)COC1OCC(OC(C)(C)C)C(O)C1OC(C)(C)C
InChIInChI=1S/C18H36O5/c1-16(2,3)11-21-15-14(23-18(7,8)9)13(19)12(10-20-15)22-17(4,5)6/h12-15,19H,10-11H2,1-9H3
InChIKeyXZDGOIXGCXJURF-UHFFFAOYSA-N
MW332.48 g/mol
LogP3.13
Rot. Bonds4

About 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol

2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol (PubChem CID 171469941) has the molecular formula C18H36O5 and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol
PubChem CID171469941
Molecular FormulaC18H36O5
Molecular Weight332.48 g/mol
Exact Mass332.26
IUPAC Name2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol
SMILESCC(C)(C)COC1OCC(OC(C)(C)C)C(O)C1OC(C)(C)C
InChIInChI=1S/C18H36O5/c1-16(2,3)11-21-15-14(23-18(7,8)9)13(19)12(10-20-15)22-17(4,5)6/h12-15,19H,10-11H2,1-9H3
InChIKeyXZDGOIXGCXJURF-UHFFFAOYSA-N
XLogP3.13
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl beta-D-xylopyranoside
CID 11768891
alpha-D-Xylopyranoside, methyl
CID 101554
Methyl beta-D-arabinopyranoside
CID 6102754
(2R,3R,4S,5S)-2-methoxyoxane-3,4,5-triol
CID 5319817
beta-D-Ribopyranoside, methyl
CID 11579182
alpha-D-Ribopyranoside, methyl
CID 13783693
alpha-D-Arabinopyranoside, methyl
CID 13783697
Methyl xylopyranoside
CID 99057
Methyl beta-L-arabinopyranoside
CID 102169
GlyTouCan:G68865YC
CID 10104030
(3R,4S,5R)-2-ethoxyoxane-3,4,5-triol
CID 22804139
Lentztrehalose
CID 86342261

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The IUPAC name of 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol (CID 171469941) is 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol is CC(C)(C)COC1OCC(OC(C)(C)C)C(O)C1OC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol?
The InChIKey is XZDGOIXGCXJURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5/c1-16(2,3)11-21-15-14(23-18(7,8)9)13(19)12(10-20-15)22-17(4,5)6/h12-15,19H,10-11H2,1-9H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol?
2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol has a molecular weight of 332.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-3,5-bis[(2-methylpropan-2-yl)oxy]oxan-4-ol is sourced from PubChem (CID 171469941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).