2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol

C12H17NO2 — CID 665385

IUPAC2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol
SMILESCC(C)(O)C#CC#CCN1CCOCC1
InChIInChI=1S/C12H17NO2/c1-12(2,14)6-4-3-5-7-13-8-10-15-11-9-13/h14H,7-11H2,1-2H3
InChIKeyVJYMWNZRVJBNGM-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.10
Rot. Bonds1

About 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol

2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol (PubChem CID 665385) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol.

Molecular Properties

Compound Name2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol
PubChem CID665385
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol
SMILESCC(C)(O)C#CC#CCN1CCOCC1
InChIInChI=1S/C12H17NO2/c1-12(2,14)6-4-3-5-7-13-8-10-15-11-9-13/h14H,7-11H2,1-2H3
InChIKeyVJYMWNZRVJBNGM-UHFFFAOYSA-N
XLogP0.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-Dimethylmorpholino)ethanol
CID 12950853
2-Methyl-1-morpholinopropan-2-ol
CID 22273170
4-(Tert-butylperoxymethyl)morpholine
CID 10352485
4-(4,4-Dimethylpent-2-ynyl)morpholine
CID 12471211
4-(But-3-yn-1-yl)-2,2-dimethylmorpholine
CID 63657448
2-Methyl-6-(morpholin-4-yl)-3-(propan-2-yl)hex-4-yn-3-ol
CID 754477
3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-
CID 869482
Cambridge id 5735698
CID 2262422
4-(5-Tert-butoxy-2-hexyn-1-yl)morpholine
CID 2839997
3-Methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 3499738
4-(Hex-2-yn-1-yl)morpholine
CID 122403404
3-Ethyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 703594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol?
The IUPAC name of 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol (CID 665385) is 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol.
What is the SMILES notation for 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol?
The canonical SMILES for 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol is CC(C)(O)C#CC#CCN1CCOCC1.
What is the InChIKey of 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol?
The InChIKey is VJYMWNZRVJBNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,14)6-4-3-5-7-13-8-10-15-11-9-13/h14H,7-11H2,1-2H3.
What are the key properties of 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol?
2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol has a molecular weight of 207.27 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-morpholin-4-ylhepta-3,5-diyn-2-ol is sourced from PubChem (CID 665385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).