acetylene;ethane;methanol;4-methyloxane

C11H24O2 — CID 143101142

IUPACacetylene;ethane;methanol;4-methyloxane
SMILESC#C.CC.CC1CCOCC1.CO
InChIInChI=1S/C6H12O.C2H6.C2H2.CH4O/c1-6-2-4-7-5-3-6;3*1-2/h6H,2-5H2,1H3;1-2H3;1-2H;2H,1H3
InChIKeyQGONXWOLDPTXFK-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.32
Rot. Bonds

About acetylene;ethane;methanol;4-methyloxane

acetylene;ethane;methanol;4-methyloxane (PubChem CID 143101142) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is acetylene;ethane;methanol;4-methyloxane.

Molecular Properties

Compound Nameacetylene;ethane;methanol;4-methyloxane
PubChem CID143101142
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Nameacetylene;ethane;methanol;4-methyloxane
SMILESC#C.CC.CC1CCOCC1.CO
InChIInChI=1S/C6H12O.C2H6.C2H2.CH4O/c1-6-2-4-7-5-3-6;3*1-2/h6H,2-5H2,1H3;1-2H3;1-2H;2H,1H3
InChIKeyQGONXWOLDPTXFK-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Ethane-1,2-diol;4-methyloxane
CID 69825154
3-(Oxan-4-yl)prop-2-yn-1-ol
CID 117265361
4-(Oxan-4-yl)but-2-yn-1-ol
CID 117265374
acetylene;(3S)-3-ethyloxolane;methanol
CID 143072661
Ethane;ethene;methanol;4-methyloxane
CID 143101227
acetylene;(2S,4S)-2,4-dimethyloxane;methanol
CID 143101245
4-Methyloxane;3-methylpentan-1-ol
CID 143130034
Ethane;methanol;3-methyloxane
CID 144437761
Oxan-4-ylmethanol;propane
CID 144745380
Methanol;4-methyloxane
CID 145298194
Ethane;2-(oxan-4-yl)ethanol
CID 145704506
Ethane;oxan-4-ylmethanol
CID 145704539

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;methanol;4-methyloxane?
The IUPAC name of acetylene;ethane;methanol;4-methyloxane (CID 143101142) is acetylene;ethane;methanol;4-methyloxane.
What is the SMILES notation for acetylene;ethane;methanol;4-methyloxane?
The canonical SMILES for acetylene;ethane;methanol;4-methyloxane is C#C.CC.CC1CCOCC1.CO.
What is the InChIKey of acetylene;ethane;methanol;4-methyloxane?
The InChIKey is QGONXWOLDPTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H6.C2H2.CH4O/c1-6-2-4-7-5-3-6;3*1-2/h6H,2-5H2,1H3;1-2H3;1-2H;2H,1H3.
What are the key properties of acetylene;ethane;methanol;4-methyloxane?
acetylene;ethane;methanol;4-methyloxane has a molecular weight of 188.31 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;methanol;4-methyloxane is sourced from PubChem (CID 143101142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).