9-propan-2-ylspiro[3.5]nonane

C12H22 — CID 140652255

IUPAC9-propan-2-ylspiro[3.5]nonane
SMILESCC(C)C1CCCCC12CCC2
InChIInChI=1S/C12H22/c1-10(2)11-6-3-4-7-12(11)8-5-9-12/h10-11H,3-9H2,1-2H3
InChIKeyMBBHHFPQGZVDAQ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds1

About 9-propan-2-ylspiro[3.5]nonane

9-propan-2-ylspiro[3.5]nonane (PubChem CID 140652255) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 9-propan-2-ylspiro[3.5]nonane.

Molecular Properties

Compound Name9-propan-2-ylspiro[3.5]nonane
PubChem CID140652255
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name9-propan-2-ylspiro[3.5]nonane
SMILESCC(C)C1CCCCC12CCC2
InChIInChI=1S/C12H22/c1-10(2)11-6-3-4-7-12(11)8-5-9-12/h10-11H,3-9H2,1-2H3
InChIKeyMBBHHFPQGZVDAQ-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-propan-2-ylspiro[2.4]heptane
CID 154526076
10-(1-chloroethyl)spiro[4.5]decane
CID 130592919
2-spiro[2.5]octan-8-ylpropanoic acid
CID 83906677
8-(dichloromethyl)spiro[2.5]octane
CID 71341933
[1,2-di(propan-2-yl)cyclohexyl]phosphane
CID 66647929
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
2-spiro[3.4]octan-8-ylpropan-1-amine
CID 83905629
5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 118613178
(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane
CID 121382404
1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 103377621
6-propan-2-yl-1-azaspiro[4.6]undecane
CID 171423222
(9R)-9-methylspiro[3.5]nonane
CID 140885739

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-ylspiro[3.5]nonane?
The IUPAC name of 9-propan-2-ylspiro[3.5]nonane (CID 140652255) is 9-propan-2-ylspiro[3.5]nonane.
What is the SMILES notation for 9-propan-2-ylspiro[3.5]nonane?
The canonical SMILES for 9-propan-2-ylspiro[3.5]nonane is CC(C)C1CCCCC12CCC2.
What is the InChIKey of 9-propan-2-ylspiro[3.5]nonane?
The InChIKey is MBBHHFPQGZVDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10(2)11-6-3-4-7-12(11)8-5-9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 9-propan-2-ylspiro[3.5]nonane?
9-propan-2-ylspiro[3.5]nonane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-ylspiro[3.5]nonane is sourced from PubChem (CID 140652255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).