1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol

C12H24O4 — CID 10988129

IUPAC1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
SMILESCOCOCCC[C@@H]1C[C@@H](C)[C@H](C(C)O)O1
InChIInChI=1S/C12H24O4/c1-9-7-11(16-12(9)10(2)13)5-4-6-15-8-14-3/h9-13H,4-8H2,1-3H3/t9-,10?,11-,12-/m1/s1
InChIKeySMGSYHJFRFYWNA-DBPBRPCRSA-N
MW232.32 g/mol
LogP1.56
Rot. Bonds7

About 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol

1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol (PubChem CID 10988129) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
PubChem CID10988129
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
SMILESCOCOCCC[C@@H]1C[C@@H](C)[C@H](C(C)O)O1
InChIInChI=1S/C12H24O4/c1-9-7-11(16-12(9)10(2)13)5-4-6-15-8-14-3/h9-13H,4-8H2,1-3H3/t9-,10?,11-,12-/m1/s1
InChIKeySMGSYHJFRFYWNA-DBPBRPCRSA-N
XLogP1.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanone
CID 10988064
3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane
CID 10951251
1-[3-(oxiran-2-yl)propoxy]butan-2-ol
CID 140851911
trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile
CID 10976800
1-(methoxymethoxy)-6-methylheptane
CID 54450331
4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol
CID 71369037
CID 20677838
CID 20677838
4-methyl-5-propan-2-yloxolan-2-ol
CID 85393181
2-[3-(methoxymethoxy)propyl]-5,5-dimethyl-2H-furan
CID 141106568
(2S,4R,6S)-2-(butoxymethyl)-6-propyloxan-4-ol
CID 102294671
3-(5,6-dimethyloxan-2-yl)propyl hypoiodite
CID 134834892
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol?
The IUPAC name of 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol (CID 10988129) is 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol.
What is the SMILES notation for 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol?
The canonical SMILES for 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol is COCOCCC[C@@H]1C[C@@H](C)[C@H](C(C)O)O1.
What is the InChIKey of 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol?
The InChIKey is SMGSYHJFRFYWNA-DBPBRPCRSA-N. The full InChI is InChI=1S/C12H24O4/c1-9-7-11(16-12(9)10(2)13)5-4-6-15-8-14-3/h9-13H,4-8H2,1-3H3/t9-,10?,11-,12-/m1/s1.
What are the key properties of 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol?
1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol has a molecular weight of 232.32 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol is sourced from PubChem (CID 10988129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).