1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol

C10H16O2 — CID 5318260

IUPAC1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol
SMILESC=C1C2CC(O)C1(C)OCC2C
InChIInChI=1S/C10H16O2/c1-6-5-12-10(3)7(2)8(6)4-9(10)11/h6,8-9,11H,2,4-5H2,1,3H3
InChIKeyQZYDNGSONZSLGW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds

About 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol

1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol (PubChem CID 5318260) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol.

Molecular Properties

Compound Name1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol
PubChem CID5318260
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol
SMILESC=C1C2CC(O)C1(C)OCC2C
InChIInChI=1S/C10H16O2/c1-6-5-12-10(3)7(2)8(6)4-9(10)11/h6,8-9,11H,2,4-5H2,1,3H3
InChIKeyQZYDNGSONZSLGW-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol?
The IUPAC name of 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol (CID 5318260) is 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol.
What is the SMILES notation for 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol?
The canonical SMILES for 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol is C=C1C2CC(O)C1(C)OCC2C.
What is the InChIKey of 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol?
The InChIKey is QZYDNGSONZSLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-5-12-10(3)7(2)8(6)4-9(10)11/h6,8-9,11H,2,4-5H2,1,3H3.
What are the key properties of 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol?
1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol is sourced from PubChem (CID 5318260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).