acetylene;(3S)-3-ethyloxolane;methanol

C9H18O2 — CID 143072661

IUPACacetylene;(3S)-3-ethyloxolane;methanol
SMILESC#C.CC[C@H]1CCOC1.CO
InChIInChI=1S/C6H12O.C2H2.CH4O/c1-2-6-3-4-7-5-6;2*1-2/h6H,2-5H2,1H3;1-2H;2H,1H3/t6-;;/m0../s1
InChIKeyXEKKKTOYXVYMOU-ILKKLZGPSA-N
MW158.24 g/mol
LogP1.29
Rot. Bonds1

About acetylene;(3S)-3-ethyloxolane;methanol

acetylene;(3S)-3-ethyloxolane;methanol (PubChem CID 143072661) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is acetylene;(3S)-3-ethyloxolane;methanol.

Molecular Properties

Compound Nameacetylene;(3S)-3-ethyloxolane;methanol
PubChem CID143072661
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nameacetylene;(3S)-3-ethyloxolane;methanol
SMILESC#C.CC[C@H]1CCOC1.CO
InChIInChI=1S/C6H12O.C2H2.CH4O/c1-2-6-3-4-7-5-6;2*1-2/h6H,2-5H2,1H3;1-2H;2H,1H3/t6-;;/m0../s1
InChIKeyXEKKKTOYXVYMOU-ILKKLZGPSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;(3S)-3-ethyloxolane;methanol?
The IUPAC name of acetylene;(3S)-3-ethyloxolane;methanol (CID 143072661) is acetylene;(3S)-3-ethyloxolane;methanol.
What is the SMILES notation for acetylene;(3S)-3-ethyloxolane;methanol?
The canonical SMILES for acetylene;(3S)-3-ethyloxolane;methanol is C#C.CC[C@H]1CCOC1.CO.
What is the InChIKey of acetylene;(3S)-3-ethyloxolane;methanol?
The InChIKey is XEKKKTOYXVYMOU-ILKKLZGPSA-N. The full InChI is InChI=1S/C6H12O.C2H2.CH4O/c1-2-6-3-4-7-5-6;2*1-2/h6H,2-5H2,1H3;1-2H;2H,1H3/t6-;;/m0../s1.
What are the key properties of acetylene;(3S)-3-ethyloxolane;methanol?
acetylene;(3S)-3-ethyloxolane;methanol has a molecular weight of 158.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(3S)-3-ethyloxolane;methanol is sourced from PubChem (CID 143072661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).