CID 59269049

C12H20O3 — CID 59269049

IUPAC—
SMILES[CH]C(CC)C1COC2(CCOCC2)OC1
InChIInChI=1S/C12H20O3/c1-3-10(2)11-8-14-12(15-9-11)4-6-13-7-5-12/h2,10-11H,3-9H2,1H3
InChIKeySXBANZOOAJWACJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds2

About CID 59269049

CID 59269049 (PubChem CID 59269049) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol.

Molecular Properties

Compound NameCID 59269049
PubChem CID59269049
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name—
SMILES[CH]C(CC)C1COC2(CCOCC2)OC1
InChIInChI=1S/C12H20O3/c1-3-10(2)11-8-14-12(15-9-11)4-6-13-7-5-12/h2,10-11H,3-9H2,1H3
InChIKeySXBANZOOAJWACJ-UHFFFAOYSA-N
XLogP1.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,5-Trimethyl-2-(3-methylbutyl)-1,3-dioxane
CID 83288
11-(Fluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
CID 71225679
4-(Fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane
CID 167263940
5-Butan-2-yl-2-ethyl-1,3-dioxane
CID 89076535
2,4,4,5,6,6-Hexamethyl-1,3-dioxane
CID 122415422
(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane
CID 135353779
4-Methyl-4-propan-2-yl-1,3-dioxane
CID 156651250
5-Isopropyl-4-methyl-1,3-dioxane
CID 12701807
cis-4-Methyl-5-isopropyl-1,3-dioxane
CID 12701808
3,3-Di(propan-2-yl)-1,5-dioxaspiro[5.5]undecane
CID 134878867
8,8-Di(propan-2-yl)-6,10-dioxaspiro[4.5]decane
CID 134878981
4-Ethyl-2,2,5-trimethyl-1,3-dioxane
CID 142514530

Frequently Asked Questions

What is the IUPAC name of CID 59269049?
The IUPAC name of CID 59269049 (CID 59269049) is not available.
What is the SMILES notation for CID 59269049?
The canonical SMILES for CID 59269049 is [CH]C(CC)C1COC2(CCOCC2)OC1.
What is the InChIKey of CID 59269049?
The InChIKey is SXBANZOOAJWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-10(2)11-8-14-12(15-9-11)4-6-13-7-5-12/h2,10-11H,3-9H2,1H3.
What are the key properties of CID 59269049?
CID 59269049 has a molecular weight of 212.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269049 is sourced from PubChem (CID 59269049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).