4,8-dimethylspiro[4.5]decane

C12H22 — CID 565495

IUPAC4,8-dimethylspiro[4.5]decane
SMILESCC1CCC2(CCCC2C)CC1
InChIInChI=1S/C12H22/c1-10-5-8-12(9-6-10)7-3-4-11(12)2/h10-11H,3-9H2,1-2H3
InChIKeyMOUIWEORRZBVMT-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds

About 4,8-dimethylspiro[4.5]decane

4,8-dimethylspiro[4.5]decane (PubChem CID 565495) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4,8-dimethylspiro[4.5]decane.

Molecular Properties

Compound Name4,8-dimethylspiro[4.5]decane
PubChem CID565495
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4,8-dimethylspiro[4.5]decane
SMILESCC1CCC2(CCCC2C)CC1
InChIInChI=1S/C12H22/c1-10-5-8-12(9-6-10)7-3-4-11(12)2/h10-11H,3-9H2,1-2H3
InChIKeyMOUIWEORRZBVMT-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylspiro[4.5]decane?
The IUPAC name of 4,8-dimethylspiro[4.5]decane (CID 565495) is 4,8-dimethylspiro[4.5]decane.
What is the SMILES notation for 4,8-dimethylspiro[4.5]decane?
The canonical SMILES for 4,8-dimethylspiro[4.5]decane is CC1CCC2(CCCC2C)CC1.
What is the InChIKey of 4,8-dimethylspiro[4.5]decane?
The InChIKey is MOUIWEORRZBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10-5-8-12(9-6-10)7-3-4-11(12)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4,8-dimethylspiro[4.5]decane?
4,8-dimethylspiro[4.5]decane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylspiro[4.5]decane is sourced from PubChem (CID 565495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).