2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane

C14H26O2 — CID 134922768

IUPAC2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane
SMILESCCCCCCC1C(CCC)C12OCCO2
InChIInChI=1S/C14H26O2/c1-3-5-6-7-9-13-12(8-4-2)14(13)15-10-11-16-14/h12-13H,3-11H2,1-2H3
InChIKeyFWYUABFEZMCKID-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.75
Rot. Bonds7

About 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane

2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 134922768) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane
PubChem CID134922768
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane
SMILESCCCCCCC1C(CCC)C12OCCO2
InChIInChI=1S/C14H26O2/c1-3-5-6-7-9-13-12(8-4-2)14(13)15-10-11-16-14/h12-13H,3-11H2,1-2H3
InChIKeyFWYUABFEZMCKID-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-1,4-dioxaspiro[4.5]decane
CID 291808
2-(1-Methyldecyl)-1,3-dioxolane
CID 11971393
6,10-Dimethyl-1,4-dioxaspiro[4,5]decane
CID 13778953
8-Ethyl-1,4-dioxaspiro[4.5]decane
CID 21016596
18-Methyl-nonadecane-1,2-diol, isopropylidene derivative
CID 91743164
2-(1-Butylheptyl)-1,3-dioxolane
CID 11971166
(4S)-4-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958788
(4S)-4-[(1R,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958789
(4S)-4-[(1S,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958791
(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958795
2-Butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane
CID 90091458
2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane
CID 122448197

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane (CID 134922768) is 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane is CCCCCCC1C(CCC)C12OCCO2.
What is the InChIKey of 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is FWYUABFEZMCKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-6-7-9-13-12(8-4-2)14(13)15-10-11-16-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane?
2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 226.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-propyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 134922768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).