(2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane

C12H24O4 — CID 177259803

IUPAC(2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane
SMILESCO[C@@H]1C(OC(C)C)CO[C@@H]1COC(C)C
InChIInChI=1S/C12H24O4/c1-8(2)14-6-10-12(13-5)11(7-15-10)16-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11?,12+/m1/s1
InChIKeyJPVBDJWZCRRSSU-LWALXPGCSA-N
MW232.32 g/mol
LogP1.62
Rot. Bonds6

About (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane

(2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane (PubChem CID 177259803) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane
PubChem CID177259803
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name(2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane
SMILESCO[C@@H]1C(OC(C)C)CO[C@@H]1COC(C)C
InChIInChI=1S/C12H24O4/c1-8(2)14-6-10-12(13-5)11(7-15-10)16-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11?,12+/m1/s1
InChIKeyJPVBDJWZCRRSSU-LWALXPGCSA-N
XLogP1.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-4-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane
CID 159866983
(2S,3S,4S,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122576492
(3R)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122461193
2-(propan-2-yloxymethyl)oxirane
CID 159998967
(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 129155573
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
(4R,4aR,8S,8aR)-8-(methoxymethyl)-4-(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 129160825
(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane
CID 121003650
(3R,4R,5R)-3-fluoro-2-propan-2-yl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 153278394
1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol
CID 166083245
CID 59991582
CID 59991582
(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 10943643

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane?
The IUPAC name of (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane (CID 177259803) is (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane.
What is the SMILES notation for (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane?
The canonical SMILES for (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane is CO[C@@H]1C(OC(C)C)CO[C@@H]1COC(C)C.
What is the InChIKey of (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane?
The InChIKey is JPVBDJWZCRRSSU-LWALXPGCSA-N. The full InChI is InChI=1S/C12H24O4/c1-8(2)14-6-10-12(13-5)11(7-15-10)16-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11?,12+/m1/s1.
What are the key properties of (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane?
(2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane has a molecular weight of 232.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane is sourced from PubChem (CID 177259803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).