(3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol

C68H136O20 — CID 158701007

IUPAC(3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OC[C@@H](C)[C@H](C)[C@H]1O.CC(C)C1OC[C@@H](C)[C@H](O)[C@H]1O.CC(C)C1OC[C@@H](O)[C@H](C)[C@H]1O.CO[C@H]1C(C(C)C)OCC(C)[C@@H]1C.CO[C@H]1C(C(C)C)OC[C@@H](C)[C@@H]1O.CO[C@H]1C(C(C)C)OC[C@@H](O)[C@@H]1C.CO[C@H]1C(C(C)C)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H22O2.2C10H20O3.C10H20O2.C9H18O4.2C9H18O3/c1-7(2)10-11(12-5)9(4)8(3)6-13-10;1-6(2)9-10(12-4)7(3)8(11)5-13-9;1-6(2)9-10(12-4)8(11)7(3)5-13-9;1-6(2)10-9(11)8(4)7(3)5-12-10;1-5(2)8-9(12-3)7(11)6(10)4-13-8;1-5(2)9-8(11)6(3)7(10)4-12-9;1-5(2)9-8(11)7(10)6(3)4-12-9/h7-11H,6H2,1-5H3;2*6-11H,5H2,1-4H3;6-11H,5H2,1-4H3;5-11H,4H2,1-3H3;2*5-11H,4H2,1-3H3/t8?,9-,10?,11+;7-,8+,9?,10+;7-,8+,9?,10-;7-,8+,9-,10?;6-,7+,8?,9-;6-,7+,8+,9?;6-,7+,8-,9?/m0011101/s1
InChIKeyIHNUMFOUPFQFPG-BEYICOCMSA-N
MW1273.82 g/mol
LogP6.69
Rot. Bonds11

About (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol

(3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol (PubChem CID 158701007) has the molecular formula C68H136O20 and a molecular weight of 1273.82 g/mol. Its IUPAC name is (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol
PubChem CID158701007
Molecular FormulaC68H136O20
Molecular Weight1273.82 g/mol
Exact Mass1272.96
IUPAC Name(3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OC[C@@H](C)[C@H](C)[C@H]1O.CC(C)C1OC[C@@H](C)[C@H](O)[C@H]1O.CC(C)C1OC[C@@H](O)[C@H](C)[C@H]1O.CO[C@H]1C(C(C)C)OCC(C)[C@@H]1C.CO[C@H]1C(C(C)C)OC[C@@H](C)[C@@H]1O.CO[C@H]1C(C(C)C)OC[C@@H](O)[C@@H]1C.CO[C@H]1C(C(C)C)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H22O2.2C10H20O3.C10H20O2.C9H18O4.2C9H18O3/c1-7(2)10-11(12-5)9(4)8(3)6-13-10;1-6(2)9-10(12-4)7(3)8(11)5-13-9;1-6(2)9-10(12-4)8(11)7(3)5-13-9;1-6(2)10-9(11)8(4)7(3)5-12-10;1-5(2)8-9(12-3)7(11)6(10)4-13-8;1-5(2)9-8(11)6(3)7(10)4-12-9;1-5(2)9-8(11)7(10)6(3)4-12-9/h7-11H,6H2,1-5H3;2*6-11H,5H2,1-4H3;6-11H,5H2,1-4H3;5-11H,4H2,1-3H3;2*5-11H,4H2,1-3H3/t8?,9-,10?,11+;7-,8+,9?,10+;7-,8+,9?,10-;7-,8+,9-,10?;6-,7+,8?,9-;6-,7+,8+,9?;6-,7+,8-,9?/m0011101/s1
InChIKeyIHNUMFOUPFQFPG-BEYICOCMSA-N
XLogP6.69
TPSA283.60 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001273.82
LogP ≤ 56.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol?
The IUPAC name of (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol (CID 158701007) is (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol.
What is the SMILES notation for (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol?
The canonical SMILES for (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol is CC(C)C1OC[C@@H](C)[C@H](C)[C@H]1O.CC(C)C1OC[C@@H](C)[C@H](O)[C@H]1O.CC(C)C1OC[C@@H](O)[C@H](C)[C@H]1O.CO[C@H]1C(C(C)C)OCC(C)[C@@H]1C.CO[C@H]1C(C(C)C)OC[C@@H](C)[C@@H]1O.CO[C@H]1C(C(C)C)OC[C@@H](O)[C@@H]1C.CO[C@H]1C(C(C)C)OC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol?
The InChIKey is IHNUMFOUPFQFPG-BEYICOCMSA-N. The full InChI is InChI=1S/C11H22O2.2C10H20O3.C10H20O2.C9H18O4.2C9H18O3/c1-7(2)10-11(12-5)9(4)8(3)6-13-10;1-6(2)9-10(12-4)7(3)8(11)5-13-9;1-6(2)9-10(12-4)8(11)7(3)5-13-9;1-6(2)10-9(11)8(4)7(3)5-12-10;1-5(2)8-9(12-3)7(11)6(10)4-13-8;1-5(2)9-8(11)6(3)7(10)4-12-9;1-5(2)9-8(11)7(10)6(3)4-12-9/h7-11H,6H2,1-5H3;2*6-11H,5H2,1-4H3;6-11H,5H2,1-4H3;5-11H,4H2,1-3H3;2*5-11H,4H2,1-3H3/t8?,9-,10?,11+;7-,8+,9?,10+;7-,8+,9?,10-;7-,8+,9-,10?;6-,7+,8?,9-;6-,7+,8+,9?;6-,7+,8-,9?/m0011101/s1.
What are the key properties of (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol?
(3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol has a molecular weight of 1273.82 g/mol, XLogP of 6.69, 11 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-4,5-dimethyl-2-propan-2-yloxan-3-ol;(3R,4S,5S)-3-methoxy-4,5-dimethyl-2-propan-2-yloxane;(3R,4S,5R)-3-methoxy-5-methyl-2-propan-2-yloxan-4-ol;(3S,4S,5R)-5-methoxy-4-methyl-6-propan-2-yloxan-3-ol;(3R,4S,5R)-5-methoxy-6-propan-2-yloxane-3,4-diol;(3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol;(3R,4S,5R)-5-methyl-2-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 158701007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).