2-butyl-2-ethyloxolane;methane

C11H24O — CID 159867268

IUPAC2-butyl-2-ethyloxolane;methane
SMILESC.CCCCC1(CC)CCCO1
InChIInChI=1S/C10H20O.CH4/c1-3-5-7-10(4-2)8-6-9-11-10;/h3-9H2,1-2H3;1H4
InChIKeyNRWUAXFXQNVKME-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.77
Rot. Bonds4

About 2-butyl-2-ethyloxolane;methane

2-butyl-2-ethyloxolane;methane (PubChem CID 159867268) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-butyl-2-ethyloxolane;methane.

Molecular Properties

Compound Name2-butyl-2-ethyloxolane;methane
PubChem CID159867268
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-butyl-2-ethyloxolane;methane
SMILESC.CCCCC1(CC)CCCO1
InChIInChI=1S/C10H20O.CH4/c1-3-5-7-10(4-2)8-6-9-11-10;/h3-9H2,1-2H3;1H4
InChIKeyNRWUAXFXQNVKME-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butyl-2-ethyloxolane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 71376373
CID 71376373
2-(2-ethyloxolan-2-yl)ethanol
CID 142632895
2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
2-butyl-2-ethylmorpholin-4-ium chloride
CID 171634137
N-methyl-1-(2-propyloxolan-2-yl)methanamine
CID 131230120
2,2-bis(4,4-difluorobutyl)oxane
CID 57090603
2-(2-ethyloxolan-2-yl)acetic acid
CID 18432801
2-butyl-2-methyloxane
CID 13494550
5-(2-butyloxetan-2-yl)pentan-1-ol
CID 68634835
(2-propyloxan-2-yl)methanol
CID 130609944
2-heptyl-2-methyloxolane
CID 66630336

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyloxolane;methane?
The IUPAC name of 2-butyl-2-ethyloxolane;methane (CID 159867268) is 2-butyl-2-ethyloxolane;methane.
What is the SMILES notation for 2-butyl-2-ethyloxolane;methane?
The canonical SMILES for 2-butyl-2-ethyloxolane;methane is C.CCCCC1(CC)CCCO1.
What is the InChIKey of 2-butyl-2-ethyloxolane;methane?
The InChIKey is NRWUAXFXQNVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.CH4/c1-3-5-7-10(4-2)8-6-9-11-10;/h3-9H2,1-2H3;1H4.
What are the key properties of 2-butyl-2-ethyloxolane;methane?
2-butyl-2-ethyloxolane;methane has a molecular weight of 172.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyloxolane;methane is sourced from PubChem (CID 159867268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).