2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane

C14H30O — CID 177218275

IUPAC2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane
SMILESCC.CC.CC1(C)CC2(CCOCC2)C1
InChIInChI=1S/C10H18O.2C2H6/c1-9(2)7-10(8-9)3-5-11-6-4-10;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyQBYSBLFZGVEERO-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.66
Rot. Bonds

About 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane

2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane (PubChem CID 177218275) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane
PubChem CID177218275
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane
SMILESCC.CC.CC1(C)CC2(CCOCC2)C1
InChIInChI=1S/C10H18O.2C2H6/c1-9(2)7-10(8-9)3-5-11-6-4-10;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyQBYSBLFZGVEERO-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-7-oxaspiro[3.5]nonane
CID 144747152
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353
4,4-diiodooxane
CID 138563806
4-(bromomethyl)-4-methyloxane
CID 64985111
9-methyl-3-oxa-9-boraspiro[5.5]undecane
CID 89312709
8-oxa-2,3-diazaspiro[4.5]decane
CID 105428381
4,4,6,6-tetramethyl-1,5-oxazocane
CID 59421161
1-(4-fluorooxan-4-yl)ethanone
CID 58356077
ethane;4-ethoxy-4-methyloxane
CID 143599120
2-tert-butylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65133807
N,N-dimethyl-7-oxaspiro[3.5]nonan-2-amine
CID 170133598
7-oxaspiro[3.5]nonan-2-ylmethanol
CID 115012159

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane?
The IUPAC name of 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane (CID 177218275) is 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane.
What is the SMILES notation for 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane?
The canonical SMILES for 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane is CC.CC.CC1(C)CC2(CCOCC2)C1.
What is the InChIKey of 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane?
The InChIKey is QBYSBLFZGVEERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.2C2H6/c1-9(2)7-10(8-9)3-5-11-6-4-10;2*1-2/h3-8H2,1-2H3;2*1-2H3.
What are the key properties of 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane?
2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane has a molecular weight of 214.39 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane is sourced from PubChem (CID 177218275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).