(2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol

C9H16O2 — CID 58590242

IUPAC(2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol
SMILESCC1C2CCC(CO)(O2)C1C
InChIInChI=1S/C9H16O2/c1-6-7(2)9(5-10)4-3-8(6)11-9/h6-8,10H,3-5H2,1-2H3
InChIKeyZNGBBXWUJUMGRR-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.18
Rot. Bonds1

About (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol

(2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol (PubChem CID 58590242) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol
PubChem CID58590242
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol
SMILESCC1C2CCC(CO)(O2)C1C
InChIInChI=1S/C9H16O2/c1-6-7(2)9(5-10)4-3-8(6)11-9/h6-8,10H,3-5H2,1-2H3
InChIKeyZNGBBXWUJUMGRR-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol?
The IUPAC name of (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol (CID 58590242) is (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol.
What is the SMILES notation for (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol?
The canonical SMILES for (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol is CC1C2CCC(CO)(O2)C1C.
What is the InChIKey of (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol?
The InChIKey is ZNGBBXWUJUMGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-7(2)9(5-10)4-3-8(6)11-9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol?
(2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanol is sourced from PubChem (CID 58590242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).