9,9-dimethyl-3-oxaspiro[5.5]undecane

C12H22O — CID 59814891

IUPAC9,9-dimethyl-3-oxaspiro[5.5]undecane
SMILESCC1(C)CCC2(CCOCC2)CC1
InChIInChI=1S/C12H22O/c1-11(2)3-5-12(6-4-11)7-9-13-10-8-12/h3-10H2,1-2H3
InChIKeyIVQRJFSCNHEKND-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds

About 9,9-dimethyl-3-oxaspiro[5.5]undecane

9,9-dimethyl-3-oxaspiro[5.5]undecane (PubChem CID 59814891) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 9,9-dimethyl-3-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name9,9-dimethyl-3-oxaspiro[5.5]undecane
PubChem CID59814891
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name9,9-dimethyl-3-oxaspiro[5.5]undecane
SMILESCC1(C)CCC2(CCOCC2)CC1
InChIInChI=1S/C12H22O/c1-11(2)3-5-12(6-4-11)7-9-13-10-8-12/h3-10H2,1-2H3
InChIKeyIVQRJFSCNHEKND-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Tert-butyl-4-(methoxymethyl)cyclohexane
CID 134855077
4-Fluoro-4-methyl-2-oxaspiro[5.5]undecane
CID 122380283
Bis-[(1-methyl-cyclohexyl)-methyl] ether
CID 22151670
2-Oxaspiro[5.5]undecane
CID 20300335
8-Deuterio-8-methyl-2-oxaspiro[4.5]decane
CID 162771232
1-[3-(7-Methoxyheptoxy)propyl]-1-propylcyclohexane
CID 170584492
(Methoxymethyl)menthane
CID 129802708
4-Diethyl-6-propyltetrahydropyran
CID 129806361
3-Methyl-2-oxaspiro[5.5]undecane
CID 134862815
1-[3-(7-Ethoxyheptoxy)propyl]-1-ethylcyclohexane
CID 168243930
2-Oxaspiro[4.5]decane
CID 13229868
9-Tert-butyl-1-oxaspiro[5.5]undecane
CID 15620797

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-oxaspiro[5.5]undecane?
The IUPAC name of 9,9-dimethyl-3-oxaspiro[5.5]undecane (CID 59814891) is 9,9-dimethyl-3-oxaspiro[5.5]undecane.
What is the SMILES notation for 9,9-dimethyl-3-oxaspiro[5.5]undecane?
The canonical SMILES for 9,9-dimethyl-3-oxaspiro[5.5]undecane is CC1(C)CCC2(CCOCC2)CC1.
What is the InChIKey of 9,9-dimethyl-3-oxaspiro[5.5]undecane?
The InChIKey is IVQRJFSCNHEKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)3-5-12(6-4-11)7-9-13-10-8-12/h3-10H2,1-2H3.
What are the key properties of 9,9-dimethyl-3-oxaspiro[5.5]undecane?
9,9-dimethyl-3-oxaspiro[5.5]undecane has a molecular weight of 182.31 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-oxaspiro[5.5]undecane is sourced from PubChem (CID 59814891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).