(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol

C12H22O4 — CID 116753889

IUPAC(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
SMILESCOC1(C(O)C2CCOCC2)CCOCC1
InChIInChI=1S/C12H22O4/c1-14-12(4-8-16-9-5-12)11(13)10-2-6-15-7-3-10/h10-11,13H,2-9H2,1H3
InChIKeyVVBXEHZGQOIYDV-UHFFFAOYSA-N
MW230.30 g/mol
LogP0.97
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol

(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol (PubChem CID 116753889) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
PubChem CID116753889
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
SMILESCOC1(C(O)C2CCOCC2)CCOCC1
InChIInChI=1S/C12H22O4/c1-14-12(4-8-16-9-5-12)11(13)10-2-6-15-7-3-10/h10-11,13H,2-9H2,1H3
InChIKeyVVBXEHZGQOIYDV-UHFFFAOYSA-N
XLogP0.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol?
The IUPAC name of (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol (CID 116753889) is (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol is COC1(C(O)C2CCOCC2)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol?
The InChIKey is VVBXEHZGQOIYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-14-12(4-8-16-9-5-12)11(13)10-2-6-15-7-3-10/h10-11,13H,2-9H2,1H3.
What are the key properties of (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol?
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol has a molecular weight of 230.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 116753889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).