3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol

C12H24O3 — CID 10943893

IUPAC3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol
SMILESCC[C@@]1(CCCO)COC(C)(C)OC1C
InChIInChI=1S/C12H24O3/c1-5-12(7-6-8-13)9-14-11(3,4)15-10(12)2/h10,13H,5-9H2,1-4H3/t10?,12-/m1/s1
InChIKeyUOJZCWXVLFVTLD-TVKKRMFBSA-N
MW216.32 g/mol
LogP2.33
Rot. Bonds4

About 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol

3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol (PubChem CID 10943893) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol
PubChem CID10943893
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol
SMILESCC[C@@]1(CCCO)COC(C)(C)OC1C
InChIInChI=1S/C12H24O3/c1-5-12(7-6-8-13)9-14-11(3,4)15-10(12)2/h10,13H,5-9H2,1-4H3/t10?,12-/m1/s1
InChIKeyUOJZCWXVLFVTLD-TVKKRMFBSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol?
The IUPAC name of 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol (CID 10943893) is 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol.
What is the SMILES notation for 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol?
The canonical SMILES for 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol is CC[C@@]1(CCCO)COC(C)(C)OC1C.
What is the InChIKey of 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol?
The InChIKey is UOJZCWXVLFVTLD-TVKKRMFBSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-12(7-6-8-13)9-14-11(3,4)15-10(12)2/h10,13H,5-9H2,1-4H3/t10?,12-/m1/s1.
What are the key properties of 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol?
3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol is sourced from PubChem (CID 10943893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).