3,8-dimethylspiro[4.4]nonane;ethane

C15H32 — CID 178108265

IUPAC3,8-dimethylspiro[4.4]nonane;ethane
SMILESCC.CC.CC1CCC2(CCC(C)C2)C1
InChIInChI=1S/C11H20.2C2H6/c1-9-3-5-11(7-9)6-4-10(2)8-11;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3
InChIKeyRIBZNAOCHZNFOI-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds

About 3,8-dimethylspiro[4.4]nonane;ethane

3,8-dimethylspiro[4.4]nonane;ethane (PubChem CID 178108265) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3,8-dimethylspiro[4.4]nonane;ethane.

Molecular Properties

Compound Name3,8-dimethylspiro[4.4]nonane;ethane
PubChem CID178108265
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3,8-dimethylspiro[4.4]nonane;ethane
SMILESCC.CC.CC1CCC2(CCC(C)C2)C1
InChIInChI=1S/C11H20.2C2H6/c1-9-3-5-11(7-9)6-4-10(2)8-11;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3
InChIKeyRIBZNAOCHZNFOI-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
2,7-dimethylspiro[3.4]octane
CID 142902956
ethane;3-methylspiro[4.4]nonane
CID 168995417
3-iodo-8-methylspiro[4.4]nonane
CID 154690645
(3R)-3-methylspiro[4.5]decane
CID 140778087
ethane;3-methyl-8-thiaspiro[4.5]decane
CID 144515809
ethane;6-methylspiro[2.5]octane
CID 142110397
3,9-dimethylspiro[5.5]undecane
CID 20825106
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680
3,8-dimethyl-8-azaspiro[4.5]decane
CID 22975666
ethane;2-methylspiro[3.5]nonane
CID 164868147
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylspiro[4.4]nonane;ethane?
The IUPAC name of 3,8-dimethylspiro[4.4]nonane;ethane (CID 178108265) is 3,8-dimethylspiro[4.4]nonane;ethane.
What is the SMILES notation for 3,8-dimethylspiro[4.4]nonane;ethane?
The canonical SMILES for 3,8-dimethylspiro[4.4]nonane;ethane is CC.CC.CC1CCC2(CCC(C)C2)C1.
What is the InChIKey of 3,8-dimethylspiro[4.4]nonane;ethane?
The InChIKey is RIBZNAOCHZNFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.2C2H6/c1-9-3-5-11(7-9)6-4-10(2)8-11;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of 3,8-dimethylspiro[4.4]nonane;ethane?
3,8-dimethylspiro[4.4]nonane;ethane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylspiro[4.4]nonane;ethane is sourced from PubChem (CID 178108265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).