4,4,10,10-tetramethyl-1,7-dioxacyclododecane

C14H28O2 — CID 59046020

IUPAC4,4,10,10-tetramethyl-1,7-dioxacyclododecane
SMILESCC1(C)CCOCCC(C)(C)CCOCC1
InChIInChI=1S/C14H28O2/c1-13(2)5-9-15-11-7-14(3,4)8-12-16-10-6-13/h5-12H2,1-4H3
InChIKeyIANPSTORZVOKOP-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.65
Rot. Bonds

About 4,4,10,10-tetramethyl-1,7-dioxacyclododecane

4,4,10,10-tetramethyl-1,7-dioxacyclododecane (PubChem CID 59046020) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4,10,10-tetramethyl-1,7-dioxacyclododecane.

Molecular Properties

Compound Name4,4,10,10-tetramethyl-1,7-dioxacyclododecane
PubChem CID59046020
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4,4,10,10-tetramethyl-1,7-dioxacyclododecane
SMILESCC1(C)CCOCCC(C)(C)CCOCC1
InChIInChI=1S/C14H28O2/c1-13(2)5-9-15-11-7-14(3,4)8-12-16-10-6-13/h5-12H2,1-4H3
InChIKeyIANPSTORZVOKOP-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15706809
3,3-Diethyl-1-methoxypentane
CID 18716379
1,5-Dimethoxy-3-methylpentane
CID 20571170
3-Ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane
CID 20583777
3-Ethyl-1-methoxy-3-methylpentane
CID 20598395
1-Methoxy-3,3-dimethylpentane
CID 20625883
1,5-Dimethoxy-2,2,4,4-tetramethylpentane
CID 20689594
3-Ethyl-3-(propoxymethyl)pentane
CID 21035931
3,3-Bis(propoxymethyl)pentane
CID 21133794
3,3-Bis(ethoxymethyl)pentane
CID 22140515
3-(2,2-Dimethylbutoxymethyl)-3-ethylpentane
CID 22957874
3-[(2-Ethyl-2-methylbutoxy)methyl]-3-methylpentane
CID 22957875

Frequently Asked Questions

What is the IUPAC name of 4,4,10,10-tetramethyl-1,7-dioxacyclododecane?
The IUPAC name of 4,4,10,10-tetramethyl-1,7-dioxacyclododecane (CID 59046020) is 4,4,10,10-tetramethyl-1,7-dioxacyclododecane.
What is the SMILES notation for 4,4,10,10-tetramethyl-1,7-dioxacyclododecane?
The canonical SMILES for 4,4,10,10-tetramethyl-1,7-dioxacyclododecane is CC1(C)CCOCCC(C)(C)CCOCC1.
What is the InChIKey of 4,4,10,10-tetramethyl-1,7-dioxacyclododecane?
The InChIKey is IANPSTORZVOKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-13(2)5-9-15-11-7-14(3,4)8-12-16-10-6-13/h5-12H2,1-4H3.
What are the key properties of 4,4,10,10-tetramethyl-1,7-dioxacyclododecane?
4,4,10,10-tetramethyl-1,7-dioxacyclododecane has a molecular weight of 228.38 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,10,10-tetramethyl-1,7-dioxacyclododecane is sourced from PubChem (CID 59046020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).