2-methyl-2-propyloxane

C9H18O — CID 145222901

IUPAC2-methyl-2-propyloxane
SMILESCCCC1(C)CCCCO1
InChIInChI=1S/C9H18O/c1-3-6-9(2)7-4-5-8-10-9/h3-8H2,1-2H3
InChIKeyLWKWSNBOIUHOCY-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.75
Rot. Bonds2

About 2-methyl-2-propyloxane

2-methyl-2-propyloxane (PubChem CID 145222901) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyl-2-propyloxane.

Molecular Properties

Compound Name2-methyl-2-propyloxane
PubChem CID145222901
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyl-2-propyloxane
SMILESCCCC1(C)CCCCO1
InChIInChI=1S/C9H18O/c1-3-6-9(2)7-4-5-8-10-9/h3-8H2,1-2H3
InChIKeyLWKWSNBOIUHOCY-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
Tetrahydro-2,2,6-trimethyl-2H-pyran
CID 122554
Cyclohexane, [(1,1-dimethylethoxy)methyl]-
CID 10877561
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
4-Fluoro-1-oxaspiro[5.6]dodecane
CID 25208212
4-Fluoro-1-oxaspiro[5.5]undecane
CID 102032176
4-Fluoro-1-oxaspiro[5.11]heptadecane
CID 154713512
Furan, 2-butyltetrahydro-2-methyl-
CID 10877221
6-Oxaspiro[4,5]decane
CID 12630235

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propyloxane?
The IUPAC name of 2-methyl-2-propyloxane (CID 145222901) is 2-methyl-2-propyloxane.
What is the SMILES notation for 2-methyl-2-propyloxane?
The canonical SMILES for 2-methyl-2-propyloxane is CCCC1(C)CCCCO1.
What is the InChIKey of 2-methyl-2-propyloxane?
The InChIKey is LWKWSNBOIUHOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-6-9(2)7-4-5-8-10-9/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-propyloxane?
2-methyl-2-propyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propyloxane is sourced from PubChem (CID 145222901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).