9-tert-butyl-1-oxaspiro[5.5]undecane

C14H26O — CID 15620797

IUPAC9-tert-butyl-1-oxaspiro[5.5]undecane
SMILESCC(C)(C)C1CCC2(CCCCO2)CC1
InChIInChI=1S/C14H26O/c1-13(2,3)12-6-9-14(10-7-12)8-4-5-11-15-14/h12H,4-11H2,1-3H3
InChIKeyBKFNLUURBFJDOT-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.16
Rot. Bonds

About 9-tert-butyl-1-oxaspiro[5.5]undecane

9-tert-butyl-1-oxaspiro[5.5]undecane (PubChem CID 15620797) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 9-tert-butyl-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-1-oxaspiro[5.5]undecane
PubChem CID15620797
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name9-tert-butyl-1-oxaspiro[5.5]undecane
SMILESCC(C)(C)C1CCC2(CCCCO2)CC1
InChIInChI=1S/C14H26O/c1-13(2,3)12-6-9-14(10-7-12)8-4-5-11-15-14/h12H,4-11H2,1-3H3
InChIKeyBKFNLUURBFJDOT-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,8-Cineole
CID 2758
1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 18974564
1-Methoxy-4-tert-pentylcyclohexane
CID 3420996
4-tert-Butylcyclohexylidene oxide
CID 165039
8-(1,1-Dimethylethyl)-3-methyl-1-oxaspiro(4.5)decane
CID 44152350
8-(1,1-Dimethylpropyl)-3-methyl-1-oxaspiro[4.5]decane
CID 44153769
1-Tert-butyl-4-(methoxymethyl)cyclohexane
CID 134855077
Dihydrosesquicineole
CID 14610881
1,5-Cineole
CID 157009860
6-Tert-butyl-2-methyl-1-oxaspiro[2.5]octane
CID 13349188
7-tert-Butyl-1-oxaspiro[3.5]nonane
CID 12552527
(--)Menthyl-ethyl-ether
CID 19917620

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1-oxaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-1-oxaspiro[5.5]undecane (CID 15620797) is 9-tert-butyl-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-1-oxaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-1-oxaspiro[5.5]undecane is CC(C)(C)C1CCC2(CCCCO2)CC1.
What is the InChIKey of 9-tert-butyl-1-oxaspiro[5.5]undecane?
The InChIKey is BKFNLUURBFJDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-13(2,3)12-6-9-14(10-7-12)8-4-5-11-15-14/h12H,4-11H2,1-3H3.
What are the key properties of 9-tert-butyl-1-oxaspiro[5.5]undecane?
9-tert-butyl-1-oxaspiro[5.5]undecane has a molecular weight of 210.36 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 9-tert-butyl-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 15620797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).