8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene

C11H18O2 — CID 14136803

IUPAC8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC(C)C1C=CC2(CC1)OCCO2
InChIInChI=1S/C11H18O2/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-11/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeySWDSKXYEHVRGJZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.35
Rot. Bonds1

About 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene

8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 14136803) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID14136803
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC(C)C1C=CC2(CC1)OCCO2
InChIInChI=1S/C11H18O2/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-11/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeySWDSKXYEHVRGJZ-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (CID 14136803) is 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is CC(C)C1C=CC2(CC1)OCCO2.
What is the InChIKey of 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is SWDSKXYEHVRGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-11/h3,5,9-10H,4,6-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 182.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 14136803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).