spiro[2.9]dodecane

C12H22 — CID 23565369

IUPACspiro[2.9]dodecane
SMILESC1CCCCC2(CCCC1)CC2
InChIInChI=1S/C12H22/c1-2-4-6-8-12(10-11-12)9-7-5-3-1/h1-11H2
InChIKeyZYRYGJJXYQLHEU-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.29
Rot. Bonds

About spiro[2.9]dodecane

spiro[2.9]dodecane (PubChem CID 23565369) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is spiro[2.9]dodecane.

Molecular Properties

Compound Namespiro[2.9]dodecane
PubChem CID23565369
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namespiro[2.9]dodecane
SMILESC1CCCCC2(CCCC1)CC2
InChIInChI=1S/C12H22/c1-2-4-6-8-12(10-11-12)9-7-5-3-1/h1-11H2
InChIKeyZYRYGJJXYQLHEU-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[2.9]dodecane?
The IUPAC name of spiro[2.9]dodecane (CID 23565369) is spiro[2.9]dodecane.
What is the SMILES notation for spiro[2.9]dodecane?
The canonical SMILES for spiro[2.9]dodecane is C1CCCCC2(CCCC1)CC2.
What is the InChIKey of spiro[2.9]dodecane?
The InChIKey is ZYRYGJJXYQLHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-2-4-6-8-12(10-11-12)9-7-5-3-1/h1-11H2.
What are the key properties of spiro[2.9]dodecane?
spiro[2.9]dodecane has a molecular weight of 166.31 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.9]dodecane is sourced from PubChem (CID 23565369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).