ethane;7-ethyl-2-methylspiro[3.5]nonane

C14H28 — CID 144515680

IUPACethane;7-ethyl-2-methylspiro[3.5]nonane
SMILESCC.CCC1CCC2(CC1)CC(C)C2
InChIInChI=1S/C12H22.C2H6/c1-3-11-4-6-12(7-5-11)8-10(2)9-12;1-2/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyIHZBBGBWTWJWJA-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds1

About ethane;7-ethyl-2-methylspiro[3.5]nonane

ethane;7-ethyl-2-methylspiro[3.5]nonane (PubChem CID 144515680) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;7-ethyl-2-methylspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-ethyl-2-methylspiro[3.5]nonane
PubChem CID144515680
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;7-ethyl-2-methylspiro[3.5]nonane
SMILESCC.CCC1CCC2(CC1)CC(C)C2
InChIInChI=1S/C12H22.C2H6/c1-3-11-4-6-12(7-5-11)8-10(2)9-12;1-2/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyIHZBBGBWTWJWJA-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-7-propylspiro[3.5]nonane
CID 149299427
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
2-(2-methylspiro[3.5]nonan-7-yl)acetonitrile
CID 90369782
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
8-ethylspiro[4.5]decan-3-ol
CID 155331554
1-(7-ethylspiro[3.5]nonan-2-yl)-3-methylimidazolidine
CID 176985441
2,7-dimethylspiro[3.4]octane
CID 142902956
8-ethyl-3-(methoxymethyl)spiro[4.4]nonane
CID 155331562
ethane;3-ethyl-8-azaspiro[4.5]decane
CID 170578114
ethane;ethylcyclopropane
CID 91380076
ethane;2-methylspiro[3.5]nonane
CID 164868147

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-2-methylspiro[3.5]nonane?
The IUPAC name of ethane;7-ethyl-2-methylspiro[3.5]nonane (CID 144515680) is ethane;7-ethyl-2-methylspiro[3.5]nonane.
What is the SMILES notation for ethane;7-ethyl-2-methylspiro[3.5]nonane?
The canonical SMILES for ethane;7-ethyl-2-methylspiro[3.5]nonane is CC.CCC1CCC2(CC1)CC(C)C2.
What is the InChIKey of ethane;7-ethyl-2-methylspiro[3.5]nonane?
The InChIKey is IHZBBGBWTWJWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C2H6/c1-3-11-4-6-12(7-5-11)8-10(2)9-12;1-2/h10-11H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;7-ethyl-2-methylspiro[3.5]nonane?
ethane;7-ethyl-2-methylspiro[3.5]nonane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-2-methylspiro[3.5]nonane is sourced from PubChem (CID 144515680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).