3,3-dimethyl-oxacyclotetradecane

C15H30O — CID 15424844

IUPAC3,3-dimethyl-oxacyclotetradecane
SMILESCC1(C)CCCCCCCCCCCOC1
InChIInChI=1S/C15H30O/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-16-14-15/h3-14H2,1-2H3
InChIKeyWMFNSFFYAGAKIH-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.94
Rot. Bonds

About 3,3-dimethyl-oxacyclotetradecane

3,3-dimethyl-oxacyclotetradecane (PubChem CID 15424844) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3,3-dimethyl-oxacyclotetradecane.

Molecular Properties

Compound Name3,3-dimethyl-oxacyclotetradecane
PubChem CID15424844
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3,3-dimethyl-oxacyclotetradecane
SMILESCC1(C)CCCCCCCCCCCOC1
InChIInChI=1S/C15H30O/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-16-14-15/h3-14H2,1-2H3
InChIKeyWMFNSFFYAGAKIH-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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azane;1,1-dimethylcyclohexane
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1,1-dimethylcyclohexane;methane
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fluoromethane;oxane
CID 171551127
7,11-dioxaspiro[5.6]dodecane
CID 122692865
(2R)-2-methyloxane-2-thiol
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carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
6-oxa-2-azaspiro[3.7]undecane
CID 118209759
2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide
CID 156787224
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-oxacyclotetradecane?
The IUPAC name of 3,3-dimethyl-oxacyclotetradecane (CID 15424844) is 3,3-dimethyl-oxacyclotetradecane.
What is the SMILES notation for 3,3-dimethyl-oxacyclotetradecane?
The canonical SMILES for 3,3-dimethyl-oxacyclotetradecane is CC1(C)CCCCCCCCCCCOC1.
What is the InChIKey of 3,3-dimethyl-oxacyclotetradecane?
The InChIKey is WMFNSFFYAGAKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-16-14-15/h3-14H2,1-2H3.
What are the key properties of 3,3-dimethyl-oxacyclotetradecane?
3,3-dimethyl-oxacyclotetradecane has a molecular weight of 226.40 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-oxacyclotetradecane is sourced from PubChem (CID 15424844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).