3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol

C10H24O4 — CID 19360665

IUPAC3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol
SMILESCOC(C)(C)CCO.COCC(C)O
InChIInChI=1S/C6H14O2.C4H10O2/c1-6(2,8-3)4-5-7;1-4(5)3-6-2/h7H,4-5H2,1-3H3;4-5H,3H2,1-2H3
InChIKeySOFZAHKPADMWMW-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.81
Rot. Bonds5

About 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol

3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol (PubChem CID 19360665) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol
PubChem CID19360665
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Name3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol
SMILESCOC(C)(C)CCO.COCC(C)O
InChIInChI=1S/C6H14O2.C4H10O2/c1-6(2,8-3)4-5-7;1-4(5)3-6-2/h7H,4-5H2,1-3H3;4-5H,3H2,1-2H3
InChIKeySOFZAHKPADMWMW-UHFFFAOYSA-N
XLogP0.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol?
The IUPAC name of 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol (CID 19360665) is 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol.
What is the SMILES notation for 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol?
The canonical SMILES for 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol is COC(C)(C)CCO.COCC(C)O.
What is the InChIKey of 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol?
The InChIKey is SOFZAHKPADMWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H10O2/c1-6(2,8-3)4-5-7;1-4(5)3-6-2/h7H,4-5H2,1-3H3;4-5H,3H2,1-2H3.
What are the key properties of 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol?
3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylbutan-1-ol;1-methoxypropan-2-ol is sourced from PubChem (CID 19360665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).