methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene

C12H20O — CID 143496664

IUPACmethane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene
SMILESC.CC1=CCC2(C=CCCO2)CC1
InChIInChI=1S/C11H16O.CH4/c1-10-4-7-11(8-5-10)6-2-3-9-12-11;/h2,4,6H,3,5,7-9H2,1H3;1H4
InChIKeyOWEIHWCZDYVHFX-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds

About methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene

methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene (PubChem CID 143496664) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene.

Molecular Properties

Compound Namemethane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene
PubChem CID143496664
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namemethane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene
SMILESC.CC1=CCC2(C=CCCO2)CC1
InChIInChI=1S/C11H16O.CH4/c1-10-4-7-11(8-5-10)6-2-3-9-12-11;/h2,4,6H,3,5,7-9H2,1H3;1H4
InChIKeyOWEIHWCZDYVHFX-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
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 methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene?
The IUPAC name of methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene (CID 143496664) is methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene.
What is the SMILES notation for methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene?
The canonical SMILES for methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene is C.CC1=CCC2(C=CCCO2)CC1.
What is the InChIKey of methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene?
The InChIKey is OWEIHWCZDYVHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.CH4/c1-10-4-7-11(8-5-10)6-2-3-9-12-11;/h2,4,6H,3,5,7-9H2,1H3;1H4.
What are the key properties of methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene?
methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene has a molecular weight of 180.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-methyl-1-oxaspiro[5.5]undeca-4,9-diene is sourced from PubChem (CID 143496664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).