deuterioethyne;methanol

C3H6O — CID 91548362

IUPACdeuterioethyne;methanol
SMILESCO.[2H]C#C
InChIInChI=1S/C2H2.CH4O/c2*1-2/h1-2H;2H,1H3/i1D;
InChIKeyAAXILUCBQRGWQB-RWQOXAPSSA-N
MW59.09 g/mol
LogP-0.14
Rot. Bonds

About deuterioethyne;methanol

deuterioethyne;methanol (PubChem CID 91548362) has the molecular formula C3H6O and a molecular weight of 59.09 g/mol. Its IUPAC name is deuterioethyne;methanol.

Molecular Properties

Compound Namedeuterioethyne;methanol
PubChem CID91548362
Molecular FormulaC3H6O
Molecular Weight59.09 g/mol
Exact Mass59.05
IUPAC Namedeuterioethyne;methanol
SMILESCO.[2H]C#C
InChIInChI=1S/C2H2.CH4O/c2*1-2/h1-2H;2H,1H3/i1D;
InChIKeyAAXILUCBQRGWQB-RWQOXAPSSA-N
XLogP-0.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.09
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

deuterio(112C)ethyne
CID 102586288
deuterioethyne;methane
CID 160962868
methanol
CID 158655095
gadolinium;methanol
CID 118647250
methanol;oxovanadium(2+)
CID 175743792
methanol;tin(2+)
CID 158848363
methanol;zinc
CID 158524056
Potassium methoxide, 95%
CID 45051806
iridium;methanol
CID 166029081
acetylene;ethane
CID 142058494
methanol;trihydrofluoride
CID 172827388
methanol;tungsten
CID 18724721

Frequently Asked Questions

What is the IUPAC name of deuterioethyne;methanol?
The IUPAC name of deuterioethyne;methanol (CID 91548362) is deuterioethyne;methanol.
What is the SMILES notation for deuterioethyne;methanol?
The canonical SMILES for deuterioethyne;methanol is CO.[2H]C#C.
What is the InChIKey of deuterioethyne;methanol?
The InChIKey is AAXILUCBQRGWQB-RWQOXAPSSA-N. The full InChI is InChI=1S/C2H2.CH4O/c2*1-2/h1-2H;2H,1H3/i1D;.
What are the key properties of deuterioethyne;methanol?
deuterioethyne;methanol has a molecular weight of 59.09 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioethyne;methanol is sourced from PubChem (CID 91548362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).