ethane;9-methyl-1-oxaspiro[5.5]undecane

C13H26O — CID 145047739

IUPACethane;9-methyl-1-oxaspiro[5.5]undecane
SMILESCC.CC1CCC2(CCCCO2)CC1
InChIInChI=1S/C11H20O.C2H6/c1-10-4-7-11(8-5-10)6-2-3-9-12-11;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyHJNCKESVPUZKSU-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.16
Rot. Bonds

About ethane;9-methyl-1-oxaspiro[5.5]undecane

ethane;9-methyl-1-oxaspiro[5.5]undecane (PubChem CID 145047739) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;9-methyl-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;9-methyl-1-oxaspiro[5.5]undecane
PubChem CID145047739
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nameethane;9-methyl-1-oxaspiro[5.5]undecane
SMILESCC.CC1CCC2(CCCCO2)CC1
InChIInChI=1S/C11H20O.C2H6/c1-10-4-7-11(8-5-10)6-2-3-9-12-11;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyHJNCKESVPUZKSU-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-1-oxaspiro[5.5]undecane?
The IUPAC name of ethane;9-methyl-1-oxaspiro[5.5]undecane (CID 145047739) is ethane;9-methyl-1-oxaspiro[5.5]undecane.
What is the SMILES notation for ethane;9-methyl-1-oxaspiro[5.5]undecane?
The canonical SMILES for ethane;9-methyl-1-oxaspiro[5.5]undecane is CC.CC1CCC2(CCCCO2)CC1.
What is the InChIKey of ethane;9-methyl-1-oxaspiro[5.5]undecane?
The InChIKey is HJNCKESVPUZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.C2H6/c1-10-4-7-11(8-5-10)6-2-3-9-12-11;1-2/h10H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;9-methyl-1-oxaspiro[5.5]undecane?
ethane;9-methyl-1-oxaspiro[5.5]undecane has a molecular weight of 198.35 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 145047739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).