3-propyl-1,4-dioxaspiro[4.5]decane

C11H20O2 — CID 14592506

IUPAC3-propyl-1,4-dioxaspiro[4.5]decane
SMILESCCCC1COC2(CCCCC2)O1
InChIInChI=1S/C11H20O2/c1-2-6-10-9-12-11(13-10)7-4-3-5-8-11/h10H,2-9H2,1H3
InChIKeySHHBUZQBFXKAOI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.86
Rot. Bonds2

About 3-propyl-1,4-dioxaspiro[4.5]decane

3-propyl-1,4-dioxaspiro[4.5]decane (PubChem CID 14592506) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-propyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-propyl-1,4-dioxaspiro[4.5]decane
PubChem CID14592506
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-propyl-1,4-dioxaspiro[4.5]decane
SMILESCCCC1COC2(CCCCC2)O1
InChIInChI=1S/C11H20O2/c1-2-6-10-9-12-11(13-10)7-4-3-5-8-11/h10H,2-9H2,1H3
InChIKeySHHBUZQBFXKAOI-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Heptanal propyleneglycol acetal
CID 20357
4-Methyl-2-pentyl-1,3-dioxolane
CID 15336
2-Hexyl-4,5-dimethyl-1,3-dioxolane
CID 94886
1,4-Dioxaspiro[4.5]decane, 2-methyl-
CID 20845
1,1-Diethoxycyclohexane
CID 74279
1,4-Dioxaspiro(4.5)decane
CID 9093
1,1-Diisopropoxycyclohexane
CID 11745673
1,4-Dioxaspiro(4.4)nonane, 2-butyl-
CID 166504
Hexanal butane-2,3-diol acetal
CID 11084346
1,3-Dioxolane, 2-methyl-2-pentyl-
CID 20359
2-Nonanone propyleneglycol acetal
CID 246089
1,3-Dioxolane, 2-hexyl-2,4,5-trimethyl-
CID 21532

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 3-propyl-1,4-dioxaspiro[4.5]decane (CID 14592506) is 3-propyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 3-propyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 3-propyl-1,4-dioxaspiro[4.5]decane is CCCC1COC2(CCCCC2)O1.
What is the InChIKey of 3-propyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is SHHBUZQBFXKAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-6-10-9-12-11(13-10)7-4-3-5-8-11/h10H,2-9H2,1H3.
What are the key properties of 3-propyl-1,4-dioxaspiro[4.5]decane?
3-propyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 184.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 14592506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).