2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol

C9H18O3 — CID 139633444

IUPAC2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol
SMILESCC(C)CC1(C)OCCC(O)O1
InChIInChI=1S/C9H18O3/c1-7(2)6-9(3)11-5-4-8(10)12-9/h7-8,10H,4-6H2,1-3H3
InChIKeyAJLHJFFZEQPTOS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol

2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol (PubChem CID 139633444) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol
PubChem CID139633444
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol
SMILESCC(C)CC1(C)OCCC(O)O1
InChIInChI=1S/C9H18O3/c1-7(2)6-9(3)11-5-4-8(10)12-9/h7-8,10H,4-6H2,1-3H3
InChIKeyAJLHJFFZEQPTOS-UHFFFAOYSA-N
XLogP1.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol?
The IUPAC name of 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol (CID 139633444) is 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol.
What is the SMILES notation for 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol?
The canonical SMILES for 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol is CC(C)CC1(C)OCCC(O)O1.
What is the InChIKey of 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol?
The InChIKey is AJLHJFFZEQPTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)6-9(3)11-5-4-8(10)12-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol?
2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol has a molecular weight of 174.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol is sourced from PubChem (CID 139633444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).