3-propylspiro[5.6]dodecane

C15H28 — CID 163613469

IUPAC3-propylspiro[5.6]dodecane
SMILESCCCC1CCC2(CCCCCC2)CC1
InChIInChI=1S/C15H28/c1-2-7-14-8-12-15(13-9-14)10-5-3-4-6-11-15/h14H,2-13H2,1H3
InChIKeyHHYDHOOFKIAUBA-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.32
Rot. Bonds2

About 3-propylspiro[5.6]dodecane

3-propylspiro[5.6]dodecane (PubChem CID 163613469) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 3-propylspiro[5.6]dodecane.

Molecular Properties

Compound Name3-propylspiro[5.6]dodecane
PubChem CID163613469
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name3-propylspiro[5.6]dodecane
SMILESCCCC1CCC2(CCCCCC2)CC1
InChIInChI=1S/C15H28/c1-2-7-14-8-12-15(13-9-14)10-5-3-4-6-11-15/h14H,2-13H2,1H3
InChIKeyHHYDHOOFKIAUBA-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-propylspiro[3.5]nonane
CID 144910869
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
3-(2,2-dimethylpropyl)spiro[5.5]undecane
CID 140695301
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
propylcyclotetradecane
CID 90991550
2-spiro[4.5]decan-8-ylethanol
CID 126844404
1,1-bis(4-propylcyclohexyl)cyclohexane
CID 54232179
spiro[5.5]undecan-3-ylmethylazanium
CID 58073628
11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
CID 18633801
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
N-methyl-1-spiro[5.5]undecan-3-ylmethanamine
CID 83907913

Frequently Asked Questions

What is the IUPAC name of 3-propylspiro[5.6]dodecane?
The IUPAC name of 3-propylspiro[5.6]dodecane (CID 163613469) is 3-propylspiro[5.6]dodecane.
What is the SMILES notation for 3-propylspiro[5.6]dodecane?
The canonical SMILES for 3-propylspiro[5.6]dodecane is CCCC1CCC2(CCCCCC2)CC1.
What is the InChIKey of 3-propylspiro[5.6]dodecane?
The InChIKey is HHYDHOOFKIAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-7-14-8-12-15(13-9-14)10-5-3-4-6-11-15/h14H,2-13H2,1H3.
What are the key properties of 3-propylspiro[5.6]dodecane?
3-propylspiro[5.6]dodecane has a molecular weight of 208.39 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylspiro[5.6]dodecane is sourced from PubChem (CID 163613469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).