(3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol

C8H14O2 — CID 163590469

IUPAC(3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol
SMILESCC1OC2CC(CO)C1C2
InChIInChI=1S/C8H14O2/c1-5-8-3-7(10-5)2-6(8)4-9/h5-9H,2-4H2,1H3
InChIKeyGPDCNRDNELCLRN-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds1

About (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol

(3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol (PubChem CID 163590469) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol
PubChem CID163590469
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol
SMILESCC1OC2CC(CO)C1C2
InChIInChI=1S/C8H14O2/c1-5-8-3-7(10-5)2-6(8)4-9/h5-9H,2-4H2,1H3
InChIKeyGPDCNRDNELCLRN-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 (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol?
The IUPAC name of (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol (CID 163590469) is (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol.
What is the SMILES notation for (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol?
The canonical SMILES for (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol is CC1OC2CC(CO)C1C2.
What is the InChIKey of (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol?
The InChIKey is GPDCNRDNELCLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-8-3-7(10-5)2-6(8)4-9/h5-9H,2-4H2,1H3.
What are the key properties of (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol?
(3-methyl-2-oxabicyclo[2.2.1]heptan-5-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 (3-methyl-2-oxabicyclo[2.2.1]heptan-5-yl)methanol is sourced from PubChem (CID 163590469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).