2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol

C10H12O2 — CID 71361914

IUPAC2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol
SMILESCC(C)(O)C#CC#CC1(C)CO1
InChIInChI=1S/C10H12O2/c1-9(2,11)6-4-5-7-10(3)8-12-10/h11H,8H2,1-3H3
InChIKeyIMUUVEYQQSFWFY-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.55
Rot. Bonds

About 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol

2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol (PubChem CID 71361914) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol.

Molecular Properties

Compound Name2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol
PubChem CID71361914
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol
SMILESCC(C)(O)C#CC#CC1(C)CO1
InChIInChI=1S/C10H12O2/c1-9(2,11)6-4-5-7-10(3)8-12-10/h11H,8H2,1-3H3
InChIKeyIMUUVEYQQSFWFY-UHFFFAOYSA-N
XLogP0.55
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxy-2-methylbut-3-yn-2-ol
CID 351721
Cyjyvcdboiuerw-uhfffaoysa-
CID 11344025
4-Pentyn-1-ol, 5-(2-methyloxiranyl)-
CID 45079313
2-But-1-ynyl-2-methyloxirane
CID 10582755
3-Butyn-2-ol, 2-methyl-4-oxiranyl-
CID 13250120
4-Methoxy-2-methyl-3-butyn-2-ol
CID 13432144
2-Methyl-5-(oxiran-2-yl)pent-3-yn-2-ol
CID 12228209
2-Methyl-2-prop-1-ynyloxirane
CID 12271363
2-Hex-1-ynyl-2-methyl-oxirane
CID 12423860
2-(3-Methoxy-3-methylbut-1-yn-1-yl)oxirane
CID 13250114
2-Methyl-4-propan-2-yloxybut-3-yn-2-ol
CID 15004643
4-Butoxy-2-methylbut-3-yn-2-ol
CID 15004645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol?
The IUPAC name of 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol (CID 71361914) is 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol.
What is the SMILES notation for 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol?
The canonical SMILES for 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol is CC(C)(O)C#CC#CC1(C)CO1.
What is the InChIKey of 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol?
The InChIKey is IMUUVEYQQSFWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-9(2,11)6-4-5-7-10(3)8-12-10/h11H,8H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol?
2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol has a molecular weight of 164.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyloxiran-2-yl)hexa-3,5-diyn-2-ol is sourced from PubChem (CID 71361914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).