8-propyl-1,4-dioxaspiro[4.5]dec-7-ene

C11H18O2 — CID 144973126

IUPAC8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h4H,2-3,5-9H2,1H3
InChIKeyIFXDUUMFDXUDMC-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds2

About 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene

8-propyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 144973126) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID144973126
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h4H,2-3,5-9H2,1H3
InChIKeyIFXDUUMFDXUDMC-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
2-Methyl-2-(6-methylhept-6-enyl)-1,3-dioxolane
CID 11970498
1,4-Dioxaspiro[4.5]dec-7-ene, 8-ethenyl-
CID 10866700
8-Tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 11313705
2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541153
7-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13214222
2-[3-(3,5-Difluorocyclohexa-1,5-dien-1-yl)propyl]-2-prop-2-enyl-1,3-dioxolane
CID 89262489
8-(4-Ethoxy-5,6-difluorocyclohexen-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 144164078
8-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023893
8-Propylidene-1,4-dioxaspiro[4.5]decane
CID 102119364
1',3',4',7'-Tetrahydrospiro[1,3-dioxolane-2,2'-indene]
CID 12446332
2-methyl-2-[(Z)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541154

Frequently Asked Questions

What is the IUPAC name of 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 144973126) is 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene is CCCC1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is IFXDUUMFDXUDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h4H,2-3,5-9H2,1H3.
What are the key properties of 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-propyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 182.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 144973126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).