1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol

C9H18O2 — CID 88698683

IUPAC1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol
SMILESC#CCO.COCC(C)(C)C
InChIInChI=1S/C6H14O.C3H4O/c1-6(2,3)5-7-4;1-2-3-4/h5H2,1-4H3;1,4H,3H2
InChIKeyXNJUPUQOPVLBOZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.29
Rot. Bonds1

About 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol

1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol (PubChem CID 88698683) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol.

Molecular Properties

Compound Name1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol
PubChem CID88698683
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol
SMILESC#CCO.COCC(C)(C)C
InChIInChI=1S/C6H14O.C3H4O/c1-6(2,3)5-7-4;1-2-3-4/h5H2,1-4H3;1,4H,3H2
InChIKeyXNJUPUQOPVLBOZ-UHFFFAOYSA-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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Related Compounds

2,2,5,5-Tetramethylhex-3-yne-1,6-diol
CID 15438230
2-Methyl-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol
CID 57387969
2,2-Dimethyl-3-prop-2-ynoxypropan-1-ol
CID 81217787
1-(2,2-Dimethylpropoxy)-2,2-dimethylpropane;ethanol
CID 87147247
1-(2,2-Dimethylpropoxy)-2,2-dimethylpropane;methanol
CID 87644501
2,2-Dimethylpropane-1,3-diol;ethoxyethane;hexa-1,5-diyne
CID 88374770
2-(Methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol
CID 88942771
2-Methyl-2-(prop-2-ynoxymethyl)propane-1,3-diol
CID 102449659
1-(2,2-Dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate
CID 137372910
2-(Deuteriomethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol
CID 141692661
2-(Ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol
CID 155644050
Methane;methoxyethane;pent-2-yn-1-ol
CID 157264416

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol?
The IUPAC name of 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol (CID 88698683) is 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol.
What is the SMILES notation for 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol?
The canonical SMILES for 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol is C#CCO.COCC(C)(C)C.
What is the InChIKey of 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol?
The InChIKey is XNJUPUQOPVLBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H4O/c1-6(2,3)5-7-4;1-2-3-4/h5H2,1-4H3;1,4H,3H2.
What are the key properties of 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol?
1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol 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 1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol is sourced from PubChem (CID 88698683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).