(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol

C8H14O2 — CID 155978195

IUPAC(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol
SMILESCC12CC(C1)C(CO)CO2
InChIInChI=1S/C8H14O2/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7,9H,2-5H2,1H3
InChIKeyFLMYFIMEGGUWJF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds1

About (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol

(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol (PubChem CID 155978195) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol.

Molecular Properties

Compound Name(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol
PubChem CID155978195
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol
SMILESCC12CC(C1)C(CO)CO2
InChIInChI=1S/C8H14O2/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7,9H,2-5H2,1H3
InChIKeyFLMYFIMEGGUWJF-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol?
The IUPAC name of (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol (CID 155978195) is (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol.
What is the SMILES notation for (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol?
The canonical SMILES for (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol is CC12CC(C1)C(CO)CO2.
What is the InChIKey of (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol?
The InChIKey is FLMYFIMEGGUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7,9H,2-5H2,1H3.
What are the key properties of (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol?
(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol has a molecular weight of 142.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol is sourced from PubChem (CID 155978195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).