2,2-dimethyl-4-tridecyl-1,3-dioxole

C18H34O2 — CID 141337245

IUPAC2,2-dimethyl-4-tridecyl-1,3-dioxole
SMILESCCCCCCCCCCCCCC1=COC(C)(C)O1
InChIInChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-16-19-18(2,3)20-17/h16H,4-15H2,1-3H3
InChIKeyVQCMXLXTFFVAFH-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.31
Rot. Bonds12

About 2,2-dimethyl-4-tridecyl-1,3-dioxole

2,2-dimethyl-4-tridecyl-1,3-dioxole (PubChem CID 141337245) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2,2-dimethyl-4-tridecyl-1,3-dioxole.

Molecular Properties

Compound Name2,2-dimethyl-4-tridecyl-1,3-dioxole
PubChem CID141337245
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2,2-dimethyl-4-tridecyl-1,3-dioxole
SMILESCCCCCCCCCCCCCC1=COC(C)(C)O1
InChIInChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-16-19-18(2,3)20-17/h16H,4-15H2,1-3H3
InChIKeyVQCMXLXTFFVAFH-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.31
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

n-Dodecyl hexaoxyethylene monoether
CID 129678034
2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane
CID 13215973
Dodecyl heptaoxyethylene ether
CID 129675859
2-Dodecyl-3-nonoxyoxirene
CID 129722363
2-Dodecyl-3-octoxyoxirene
CID 129777530
10-[1,1-Bis(dec-9-enoxy)ethoxy]dec-1-ene
CID 54443502
magnesium;carbanide;(Z)-1-[(3S)-tetradecan-3-yl]oxyoct-1-en-1-olate
CID 59050618
3-[[1-(2-Ethylhex-1-enoxy)-1-hexoxyhexoxy]methylidene]heptane
CID 88669729
2-Dodec-11-enyl-3-undecoxyoxirene
CID 140533261
2-Decoxy-3-dodecyloxirene
CID 140533262
2-Decyl-3-octoxyoxirene
CID 140533264
2-Hexoxy-3-nonyloxirene
CID 140533265

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-tridecyl-1,3-dioxole?
The IUPAC name of 2,2-dimethyl-4-tridecyl-1,3-dioxole (CID 141337245) is 2,2-dimethyl-4-tridecyl-1,3-dioxole.
What is the SMILES notation for 2,2-dimethyl-4-tridecyl-1,3-dioxole?
The canonical SMILES for 2,2-dimethyl-4-tridecyl-1,3-dioxole is CCCCCCCCCCCCCC1=COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-tridecyl-1,3-dioxole?
The InChIKey is VQCMXLXTFFVAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-16-19-18(2,3)20-17/h16H,4-15H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-tridecyl-1,3-dioxole?
2,2-dimethyl-4-tridecyl-1,3-dioxole has a molecular weight of 282.47 g/mol, XLogP of 6.31, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-tridecyl-1,3-dioxole is sourced from PubChem (CID 141337245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).