3,4-dimethylidene-1-oxaspiro[4.5]decane

C11H16O — CID 134983119

IUPAC3,4-dimethylidene-1-oxaspiro[4.5]decane
SMILESC=C1COC2(CCCCC2)C1=C
InChIInChI=1S/C11H16O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h1-8H2
InChIKeyNVSUBWOZGKVKEE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.83
Rot. Bonds

About 3,4-dimethylidene-1-oxaspiro[4.5]decane

3,4-dimethylidene-1-oxaspiro[4.5]decane (PubChem CID 134983119) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,4-dimethylidene-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3,4-dimethylidene-1-oxaspiro[4.5]decane
PubChem CID134983119
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3,4-dimethylidene-1-oxaspiro[4.5]decane
SMILESC=C1COC2(CCCCC2)C1=C
InChIInChI=1S/C11H16O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h1-8H2
InChIKeyNVSUBWOZGKVKEE-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidene-1-oxaspiro[4.5]decane?
The IUPAC name of 3,4-dimethylidene-1-oxaspiro[4.5]decane (CID 134983119) is 3,4-dimethylidene-1-oxaspiro[4.5]decane.
What is the SMILES notation for 3,4-dimethylidene-1-oxaspiro[4.5]decane?
The canonical SMILES for 3,4-dimethylidene-1-oxaspiro[4.5]decane is C=C1COC2(CCCCC2)C1=C.
What is the InChIKey of 3,4-dimethylidene-1-oxaspiro[4.5]decane?
The InChIKey is NVSUBWOZGKVKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h1-8H2.
What are the key properties of 3,4-dimethylidene-1-oxaspiro[4.5]decane?
3,4-dimethylidene-1-oxaspiro[4.5]decane has a molecular weight of 164.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidene-1-oxaspiro[4.5]decane is sourced from PubChem (CID 134983119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).