3-propan-2-yl-8-oxaspiro[5.6]dodecane

C14H26O — CID 176804271

IUPAC3-propan-2-yl-8-oxaspiro[5.6]dodecane
SMILESCC(C)C1CCC2(CCCCOC2)CC1
InChIInChI=1S/C14H26O/c1-12(2)13-5-8-14(9-6-13)7-3-4-10-15-11-14/h12-13H,3-11H2,1-2H3
InChIKeySAMXSHCUGGAUKV-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.02
Rot. Bonds1

About 3-propan-2-yl-8-oxaspiro[5.6]dodecane

3-propan-2-yl-8-oxaspiro[5.6]dodecane (PubChem CID 176804271) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-propan-2-yl-8-oxaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-propan-2-yl-8-oxaspiro[5.6]dodecane
PubChem CID176804271
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-propan-2-yl-8-oxaspiro[5.6]dodecane
SMILESCC(C)C1CCC2(CCCCOC2)CC1
InChIInChI=1S/C14H26O/c1-12(2)13-5-8-14(9-6-13)7-3-4-10-15-11-14/h12-13H,3-11H2,1-2H3
InChIKeySAMXSHCUGGAUKV-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-oxaspiro[5.6]dodecane?
The IUPAC name of 3-propan-2-yl-8-oxaspiro[5.6]dodecane (CID 176804271) is 3-propan-2-yl-8-oxaspiro[5.6]dodecane.
What is the SMILES notation for 3-propan-2-yl-8-oxaspiro[5.6]dodecane?
The canonical SMILES for 3-propan-2-yl-8-oxaspiro[5.6]dodecane is CC(C)C1CCC2(CCCCOC2)CC1.
What is the InChIKey of 3-propan-2-yl-8-oxaspiro[5.6]dodecane?
The InChIKey is SAMXSHCUGGAUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-12(2)13-5-8-14(9-6-13)7-3-4-10-15-11-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-propan-2-yl-8-oxaspiro[5.6]dodecane?
3-propan-2-yl-8-oxaspiro[5.6]dodecane has a molecular weight of 210.36 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-oxaspiro[5.6]dodecane is sourced from PubChem (CID 176804271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).