(1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol

C14H28O3 — CID 101134322

IUPAC(1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)C1(C(C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C14H28O3/c1-10(2)11(15)14(12(3,4)5)8-16-13(6,7)17-9-14/h10-11,15H,8-9H2,1-7H3/t11-/m1/s1
InChIKeyFSUIBEKIEAAUAW-LLVKDONJSA-N
MW244.37 g/mol
LogP2.82
Rot. Bonds2

About (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol

(1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol (PubChem CID 101134322) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol
PubChem CID101134322
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)C1(C(C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C14H28O3/c1-10(2)11(15)14(12(3,4)5)8-16-13(6,7)17-9-14/h10-11,15H,8-9H2,1-7H3/t11-/m1/s1
InChIKeyFSUIBEKIEAAUAW-LLVKDONJSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol (CID 101134322) is (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol is CC(C)[C@@H](O)C1(C(C)(C)C)COC(C)(C)OC1.
What is the InChIKey of (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol?
The InChIKey is FSUIBEKIEAAUAW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H28O3/c1-10(2)11(15)14(12(3,4)5)8-16-13(6,7)17-9-14/h10-11,15H,8-9H2,1-7H3/t11-/m1/s1.
What are the key properties of (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol?
(1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-tert-butyl-2,2-dimethyl-1,3-dioxan-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 101134322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).