2,4,4,5-tetramethyloxane

C9H18O — CID 142990175

IUPAC2,4,4,5-tetramethyloxane
SMILESCC1CC(C)(C)C(C)CO1
InChIInChI=1S/C9H18O/c1-7-6-10-8(2)5-9(7,3)4/h7-8H,5-6H2,1-4H3
InChIKeyRAPXQERFZCODFN-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds

About 2,4,4,5-tetramethyloxane

2,4,4,5-tetramethyloxane (PubChem CID 142990175) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,4,4,5-tetramethyloxane.

Molecular Properties

Compound Name2,4,4,5-tetramethyloxane
PubChem CID142990175
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,4,4,5-tetramethyloxane
SMILESCC1CC(C)(C)C(C)CO1
InChIInChI=1S/C9H18O/c1-7-6-10-8(2)5-9(7,3)4/h7-8H,5-6H2,1-4H3
InChIKeyRAPXQERFZCODFN-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
λ2-plumbane;2-methyloxirane
CID 173222692
2-methyloxirane;1,1,2-trimethylcyclohexane
CID 20977929
zinc;2-methyloxirane;dichloride
CID 21163562
magnesium;hydride;2-methyloxirane
CID 173126818
2-methyloxirane;molecular iodine
CID 91277313
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
(2-methyloxirane);oxirane
CID 173423277
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
4,4,5-trimethyldioxane
CID 23340254

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5-tetramethyloxane?
The IUPAC name of 2,4,4,5-tetramethyloxane (CID 142990175) is 2,4,4,5-tetramethyloxane.
What is the SMILES notation for 2,4,4,5-tetramethyloxane?
The canonical SMILES for 2,4,4,5-tetramethyloxane is CC1CC(C)(C)C(C)CO1.
What is the InChIKey of 2,4,4,5-tetramethyloxane?
The InChIKey is RAPXQERFZCODFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7-6-10-8(2)5-9(7,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,4,4,5-tetramethyloxane?
2,4,4,5-tetramethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetramethyloxane is sourced from PubChem (CID 142990175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).