1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol

C7H12O4 — CID 72551712

IUPAC1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol
SMILESCC1OC2COC1(CO)C2O
InChIInChI=1S/C7H12O4/c1-4-7(3-8)6(9)5(11-4)2-10-7/h4-6,8-9H,2-3H2,1H3
InChIKeyDVDFLRPKEUVWQG-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.10
Rot. Bonds1

About 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol

1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol (PubChem CID 72551712) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol
PubChem CID72551712
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol
SMILESCC1OC2COC1(CO)C2O
InChIInChI=1S/C7H12O4/c1-4-7(3-8)6(9)5(11-4)2-10-7/h4-6,8-9H,2-3H2,1H3
InChIKeyDVDFLRPKEUVWQG-UHFFFAOYSA-N
XLogP-1.10
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The IUPAC name of 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol (CID 72551712) is 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol is CC1OC2COC1(CO)C2O.
What is the InChIKey of 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The InChIKey is DVDFLRPKEUVWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-4-7(3-8)6(9)5(11-4)2-10-7/h4-6,8-9H,2-3H2,1H3.
What are the key properties of 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol?
1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol has a molecular weight of 160.17 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 72551712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).