7-methyl-7-propylspiro[2.5]octane

C12H22 — CID 20725719

IUPAC7-methyl-7-propylspiro[2.5]octane
SMILESCCCC1(C)CCCC2(CC2)C1
InChIInChI=1S/C12H22/c1-3-5-11(2)6-4-7-12(10-11)8-9-12/h3-10H2,1-2H3
InChIKeyPYRJBMUDXKLFAG-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.15
Rot. Bonds2

About 7-methyl-7-propylspiro[2.5]octane

7-methyl-7-propylspiro[2.5]octane (PubChem CID 20725719) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 7-methyl-7-propylspiro[2.5]octane.

Molecular Properties

Compound Name7-methyl-7-propylspiro[2.5]octane
PubChem CID20725719
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name7-methyl-7-propylspiro[2.5]octane
SMILESCCCC1(C)CCCC2(CC2)C1
InChIInChI=1S/C12H22/c1-3-5-11(2)6-4-7-12(10-11)8-9-12/h3-10H2,1-2H3
InChIKeyPYRJBMUDXKLFAG-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
1,2-dimethyl-2-propylcyclopentan-1-ol
CID 131101146
tricyclo[3.2.2.11,5]decane
CID 11355506
propane;spiro[3.3]heptane
CID 176988732
8-propylspiro[4.5]decan-8-ol
CID 114819227
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
1-ethyl-3-methyl-3-propylpiperidine
CID 130676337
(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane
CID 170720979
ethane;ethylcyclopentane;1-methyl-1-propylcyclohexane
CID 153335761
dispiro[2.1.45.23]undecane
CID 123654868

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-propylspiro[2.5]octane?
The IUPAC name of 7-methyl-7-propylspiro[2.5]octane (CID 20725719) is 7-methyl-7-propylspiro[2.5]octane.
What is the SMILES notation for 7-methyl-7-propylspiro[2.5]octane?
The canonical SMILES for 7-methyl-7-propylspiro[2.5]octane is CCCC1(C)CCCC2(CC2)C1.
What is the InChIKey of 7-methyl-7-propylspiro[2.5]octane?
The InChIKey is PYRJBMUDXKLFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-11(2)6-4-7-12(10-11)8-9-12/h3-10H2,1-2H3.
What are the key properties of 7-methyl-7-propylspiro[2.5]octane?
7-methyl-7-propylspiro[2.5]octane has a molecular weight of 166.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-propylspiro[2.5]octane is sourced from PubChem (CID 20725719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).