(2-methoxy-4H-1,3-dioxin-2-yl)methanol

C6H10O4 — CID 90769668

IUPAC(2-methoxy-4H-1,3-dioxin-2-yl)methanol
SMILESCOC1(CO)OC=CCO1
InChIInChI=1S/C6H10O4/c1-8-6(5-7)9-3-2-4-10-6/h2-3,7H,4-5H2,1H3
InChIKeyKZQJKFYJIKXOQW-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.16
Rot. Bonds2

About (2-methoxy-4H-1,3-dioxin-2-yl)methanol

(2-methoxy-4H-1,3-dioxin-2-yl)methanol (PubChem CID 90769668) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2-methoxy-4H-1,3-dioxin-2-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-4H-1,3-dioxin-2-yl)methanol
PubChem CID90769668
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2-methoxy-4H-1,3-dioxin-2-yl)methanol
SMILESCOC1(CO)OC=CCO1
InChIInChI=1S/C6H10O4/c1-8-6(5-7)9-3-2-4-10-6/h2-3,7H,4-5H2,1H3
InChIKeyKZQJKFYJIKXOQW-UHFFFAOYSA-N
XLogP-0.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-Dioxolan-2-ylidene)ethoxy]ethanol
CID 70417040
2-(1-Methoxyprop-2-enoxy)ethanol
CID 90712018
2-Methoxy-2-prop-2-enoxyethanol
CID 122583477
2-(1-Prop-2-enoxyethoxy)ethanol
CID 141490713
2-[2-[2-(3,3-Diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
CID 154114559
2-(3,3-Diethoxyprop-1-enoxy)ethanol
CID 154116417
1,2-Diethoxy-1-prop-2-enoxyethanol
CID 155338451
2-[3-(2-Hydroxyethoxy)prop-2-enoxy]ethanol
CID 173492479
4H-1,3-dioxin-2-ylmethanol
CID 174652315
2,2-dimethyl-4H-1,3-dioxin-5-ol
CID 71353458

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4H-1,3-dioxin-2-yl)methanol?
The IUPAC name of (2-methoxy-4H-1,3-dioxin-2-yl)methanol (CID 90769668) is (2-methoxy-4H-1,3-dioxin-2-yl)methanol.
What is the SMILES notation for (2-methoxy-4H-1,3-dioxin-2-yl)methanol?
The canonical SMILES for (2-methoxy-4H-1,3-dioxin-2-yl)methanol is COC1(CO)OC=CCO1.
What is the InChIKey of (2-methoxy-4H-1,3-dioxin-2-yl)methanol?
The InChIKey is KZQJKFYJIKXOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-8-6(5-7)9-3-2-4-10-6/h2-3,7H,4-5H2,1H3.
What are the key properties of (2-methoxy-4H-1,3-dioxin-2-yl)methanol?
(2-methoxy-4H-1,3-dioxin-2-yl)methanol has a molecular weight of 146.14 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4H-1,3-dioxin-2-yl)methanol is sourced from PubChem (CID 90769668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).