1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol

C12H24O4 — CID 134866083

IUPAC1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol
SMILESC[C@@H]1C[C@@H](C(O)CO)O[C@H]1COC(C)(C)C
InChIInChI=1S/C12H24O4/c1-8-5-10(9(14)6-13)16-11(8)7-15-12(2,3)4/h8-11,13-14H,5-7H2,1-4H3/t8-,9?,10+,11+/m1/s1
InChIKeyNGZRCWNNDCQSSB-RRPPZXBKSA-N
MW232.32 g/mol
LogP0.95
Rot. Bonds4

About 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol

1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol (PubChem CID 134866083) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol
PubChem CID134866083
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol
SMILESC[C@@H]1C[C@@H](C(O)CO)O[C@H]1COC(C)(C)C
InChIInChI=1S/C12H24O4/c1-8-5-10(9(14)6-13)16-11(8)7-15-12(2,3)4/h8-11,13-14H,5-7H2,1-4H3/t8-,9?,10+,11+/m1/s1
InChIKeyNGZRCWNNDCQSSB-RRPPZXBKSA-N
XLogP0.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol (CID 134866083) is 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol is C[C@@H]1C[C@@H](C(O)CO)O[C@H]1COC(C)(C)C.
What is the InChIKey of 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol?
The InChIKey is NGZRCWNNDCQSSB-RRPPZXBKSA-N. The full InChI is InChI=1S/C12H24O4/c1-8-5-10(9(14)6-13)16-11(8)7-15-12(2,3)4/h8-11,13-14H,5-7H2,1-4H3/t8-,9?,10+,11+/m1/s1.
What are the key properties of 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol?
1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol has a molecular weight of 232.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 134866083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).