7-propylspiro[3.5]nonane

C12H22 — CID 144910869

IUPAC7-propylspiro[3.5]nonane
SMILESCCCC1CCC2(CCC2)CC1
InChIInChI=1S/C12H22/c1-2-4-11-5-9-12(10-6-11)7-3-8-12/h11H,2-10H2,1H3
InChIKeyRNUMXNNSBBKWIN-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.15
Rot. Bonds2

About 7-propylspiro[3.5]nonane

7-propylspiro[3.5]nonane (PubChem CID 144910869) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 7-propylspiro[3.5]nonane.

Molecular Properties

Compound Name7-propylspiro[3.5]nonane
PubChem CID144910869
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name7-propylspiro[3.5]nonane
SMILESCCCC1CCC2(CCC2)CC1
InChIInChI=1S/C12H22/c1-2-4-11-5-9-12(10-6-11)7-3-8-12/h11H,2-10H2,1H3
InChIKeyRNUMXNNSBBKWIN-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

3-propylspiro[5.6]dodecane
CID 163613469
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
CID 18633801
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
2-spiro[4.5]decan-8-ylethanol
CID 126844404
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
propylcyclotetradecane
CID 90991550
3-(2,2-dimethylpropyl)spiro[5.5]undecane
CID 140695301
propane;spiro[3.3]heptane
CID 176988732
3-propyl-8-azaspiro[4.5]decane
CID 177021329
1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247

Frequently Asked Questions

What is the IUPAC name of 7-propylspiro[3.5]nonane?
The IUPAC name of 7-propylspiro[3.5]nonane (CID 144910869) is 7-propylspiro[3.5]nonane.
What is the SMILES notation for 7-propylspiro[3.5]nonane?
The canonical SMILES for 7-propylspiro[3.5]nonane is CCCC1CCC2(CCC2)CC1.
What is the InChIKey of 7-propylspiro[3.5]nonane?
The InChIKey is RNUMXNNSBBKWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-2-4-11-5-9-12(10-6-11)7-3-8-12/h11H,2-10H2,1H3.
What are the key properties of 7-propylspiro[3.5]nonane?
7-propylspiro[3.5]nonane 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-propylspiro[3.5]nonane is sourced from PubChem (CID 144910869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).