[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid

C8H15NO5 — CID 70977002

IUPAC[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid
SMILESCC1(C)OCC(CO)(NC(=O)O)CO1
InChIInChI=1S/C8H15NO5/c1-7(2)13-4-8(3-10,5-14-7)9-6(11)12/h9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyZENFMHRBKZEKJV-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.23
Rot. Bonds2

About [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid

[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid (PubChem CID 70977002) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid
PubChem CID70977002
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid
SMILESCC1(C)OCC(CO)(NC(=O)O)CO1
InChIInChI=1S/C8H15NO5/c1-7(2)13-4-8(3-10,5-14-7)9-6(11)12/h9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyZENFMHRBKZEKJV-UHFFFAOYSA-N
XLogP-0.23
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid?
The IUPAC name of [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid (CID 70977002) is [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid.
What is the SMILES notation for [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid?
The canonical SMILES for [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid is CC1(C)OCC(CO)(NC(=O)O)CO1.
What is the InChIKey of [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid?
The InChIKey is ZENFMHRBKZEKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-7(2)13-4-8(3-10,5-14-7)9-6(11)12/h9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid?
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid has a molecular weight of 205.21 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid is sourced from PubChem (CID 70977002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).