[2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol

C10H18O4 — CID 70888054

IUPAC[2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
SMILESOCC1(CO)COC(C2CCC2)OC1
InChIInChI=1S/C10H18O4/c11-4-10(5-12)6-13-9(14-7-10)8-2-1-3-8/h8-9,11-12H,1-7H2
InChIKeyGWTSULBTLJFPIE-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.13
Rot. Bonds3

About [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol

[2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol (PubChem CID 70888054) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
PubChem CID70888054
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
SMILESOCC1(CO)COC(C2CCC2)OC1
InChIInChI=1S/C10H18O4/c11-4-10(5-12)6-13-9(14-7-10)8-2-1-3-8/h8-9,11-12H,1-7H2
InChIKeyGWTSULBTLJFPIE-UHFFFAOYSA-N
XLogP0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The IUPAC name of [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol (CID 70888054) is [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol is OCC1(CO)COC(C2CCC2)OC1.
What is the InChIKey of [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The InChIKey is GWTSULBTLJFPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-4-10(5-12)6-13-9(14-7-10)8-2-1-3-8/h8-9,11-12H,1-7H2.
What are the key properties of [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
[2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol has a molecular weight of 202.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 70888054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).