3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane

C12H18O — CID 14335173

IUPAC3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane
SMILESC=C1C2COCC1C1C(C2)C1(C)C
InChIInChI=1S/C12H18O/c1-7-8-4-10-11(12(10,2)3)9(7)6-13-5-8/h8-11H,1,4-6H2,2-3H3
InChIKeyBJFOFLSDJWIWJM-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.48
Rot. Bonds

About 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane

3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane (PubChem CID 14335173) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane.

Molecular Properties

Compound Name3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane
PubChem CID14335173
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane
SMILESC=C1C2COCC1C1C(C2)C1(C)C
InChIInChI=1S/C12H18O/c1-7-8-4-10-11(12(10,2)3)9(7)6-13-5-8/h8-11H,1,4-6H2,2-3H3
InChIKeyBJFOFLSDJWIWJM-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane?
The IUPAC name of 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane (CID 14335173) is 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane.
What is the SMILES notation for 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane?
The canonical SMILES for 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane is C=C1C2COCC1C1C(C2)C1(C)C.
What is the InChIKey of 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane?
The InChIKey is BJFOFLSDJWIWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-7-8-4-10-11(12(10,2)3)9(7)6-13-5-8/h8-11H,1,4-6H2,2-3H3.
What are the key properties of 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane?
3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane has a molecular weight of 178.27 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-10-methylidene-8-oxatricyclo[4.3.1.02,4]decane is sourced from PubChem (CID 14335173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).