4-methyl-2-(2-methylpropyl)oxane-2,4-diol

C10H20O3 — CID 167430599

IUPAC4-methyl-2-(2-methylpropyl)oxane-2,4-diol
SMILESCC(C)CC1(O)CC(C)(O)CCO1
InChIInChI=1S/C10H20O3/c1-8(2)6-10(12)7-9(3,11)4-5-13-10/h8,11-12H,4-7H2,1-3H3
InChIKeyUFSKDXZRMAITKU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.28
Rot. Bonds2

About 4-methyl-2-(2-methylpropyl)oxane-2,4-diol

4-methyl-2-(2-methylpropyl)oxane-2,4-diol (PubChem CID 167430599) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)oxane-2,4-diol.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)oxane-2,4-diol
PubChem CID167430599
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-methyl-2-(2-methylpropyl)oxane-2,4-diol
SMILESCC(C)CC1(O)CC(C)(O)CCO1
InChIInChI=1S/C10H20O3/c1-8(2)6-10(12)7-9(3,11)4-5-13-10/h8,11-12H,4-7H2,1-3H3
InChIKeyUFSKDXZRMAITKU-UHFFFAOYSA-N
XLogP1.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 75485633
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
4-methyl-2-(2-methylpropyl)oxan-4-ol
CID 3017432
2-methyl-2-(2-methylpropyl)morpholine
CID 65122296
2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol
CID 65149594
2,2-bis(2-methylpropyl)oxane
CID 57237158
1,1,2-trimethyl-2-(2-methylpropyl)cyclopropane
CID 123147679
2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]ethanol
CID 130124161
4-(chloromethyl)-4-(2-methylpropyl)oxane
CID 66034418
alumane;2,2-bis(2-methylpropyl)oxane
CID 173267840
2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol
CID 139633444
1-methyl-4-(2-methylpropyl)-2,3,5,6-tetraoxabicyclo[2.2.1]heptane
CID 71653979

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)oxane-2,4-diol?
The IUPAC name of 4-methyl-2-(2-methylpropyl)oxane-2,4-diol (CID 167430599) is 4-methyl-2-(2-methylpropyl)oxane-2,4-diol.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)oxane-2,4-diol?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)oxane-2,4-diol is CC(C)CC1(O)CC(C)(O)CCO1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)oxane-2,4-diol?
The InChIKey is UFSKDXZRMAITKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)6-10(12)7-9(3,11)4-5-13-10/h8,11-12H,4-7H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)oxane-2,4-diol?
4-methyl-2-(2-methylpropyl)oxane-2,4-diol has a molecular weight of 188.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)oxane-2,4-diol is sourced from PubChem (CID 167430599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).