1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol

C10H20O3 — CID 116753892

IUPAC1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol
SMILESCOC1(C(O)C(C)C)CCOCC1
InChIInChI=1S/C10H20O3/c1-8(2)9(11)10(12-3)4-6-13-7-5-10/h8-9,11H,4-7H2,1-3H3
InChIKeyUTHSEWTXPITXAW-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.20
Rot. Bonds3

About 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol

1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol (PubChem CID 116753892) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol
PubChem CID116753892
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol
SMILESCOC1(C(O)C(C)C)CCOCC1
InChIInChI=1S/C10H20O3/c1-8(2)9(11)10(12-3)4-6-13-7-5-10/h8-9,11H,4-7H2,1-3H3
InChIKeyUTHSEWTXPITXAW-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol (CID 116753892) is 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol is COC1(C(O)C(C)C)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol?
The InChIKey is UTHSEWTXPITXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)9(11)10(12-3)4-6-13-7-5-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol?
1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 116753892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).