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

C12H24O3 — CID 134854733

IUPAC2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol
SMILESCC(C)[C@H]1C[C@@H](C(C)(C)O)OC(C)(C)O1
InChIInChI=1S/C12H24O3/c1-8(2)9-7-10(11(3,4)13)15-12(5,6)14-9/h8-10,13H,7H2,1-6H3/t9-,10+/m1/s1
InChIKeyAXQYFJCLDMWIMJ-ZJUUUORDSA-N
MW216.32 g/mol
LogP2.32
Rot. Bonds2

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

2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol (PubChem CID 134854733) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol
PubChem CID134854733
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol
SMILESCC(C)[C@H]1C[C@@H](C(C)(C)O)OC(C)(C)O1
InChIInChI=1S/C12H24O3/c1-8(2)9-7-10(11(3,4)13)15-12(5,6)14-9/h8-10,13H,7H2,1-6H3/t9-,10+/m1/s1
InChIKeyAXQYFJCLDMWIMJ-ZJUUUORDSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol?
The IUPAC name of 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol (CID 134854733) is 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol.
What is the SMILES notation for 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol?
The canonical SMILES for 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol is CC(C)[C@H]1C[C@@H](C(C)(C)O)OC(C)(C)O1.
What is the InChIKey of 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol?
The InChIKey is AXQYFJCLDMWIMJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24O3/c1-8(2)9-7-10(11(3,4)13)15-12(5,6)14-9/h8-10,13H,7H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol?
2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol is sourced from PubChem (CID 134854733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).