(2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol

C16H30O5 — CID 134938024

IUPAC(2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol
SMILESCC[C@H]1O[C@H](C)O[C@@]1(C)[C@@H]1OC(C)O[C@@H]([C@H](C)CO)[C@@H]1C
InChIInChI=1S/C16H30O5/c1-7-13-16(6,21-12(5)18-13)15-10(3)14(9(2)8-17)19-11(4)20-15/h9-15,17H,7-8H2,1-6H3/t9-,10+,11?,12+,13-,14+,15-,16-/m1/s1
InChIKeyPJOOPMAWCKEENC-ROIXCOAHSA-N
MW302.41 g/mol
LogP2.31
Rot. Bonds4

About (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol

(2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol (PubChem CID 134938024) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol
PubChem CID134938024
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name(2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol
SMILESCC[C@H]1O[C@H](C)O[C@@]1(C)[C@@H]1OC(C)O[C@@H]([C@H](C)CO)[C@@H]1C
InChIInChI=1S/C16H30O5/c1-7-13-16(6,21-12(5)18-13)15-10(3)14(9(2)8-17)19-11(4)20-15/h9-15,17H,7-8H2,1-6H3/t9-,10+,11?,12+,13-,14+,15-,16-/m1/s1
InChIKeyPJOOPMAWCKEENC-ROIXCOAHSA-N
XLogP2.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol (CID 134938024) is (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol is CC[C@H]1O[C@H](C)O[C@@]1(C)[C@@H]1OC(C)O[C@@H]([C@H](C)CO)[C@@H]1C.
What is the InChIKey of (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol?
The InChIKey is PJOOPMAWCKEENC-ROIXCOAHSA-N. The full InChI is InChI=1S/C16H30O5/c1-7-13-16(6,21-12(5)18-13)15-10(3)14(9(2)8-17)19-11(4)20-15/h9-15,17H,7-8H2,1-6H3/t9-,10+,11?,12+,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol?
(2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol has a molecular weight of 302.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S,5S,6R)-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxan-4-yl]propan-1-ol is sourced from PubChem (CID 134938024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).