6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol

C9H10O2 — CID 101409100

IUPAC6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol
SMILESCC1OC1C#CC#CCCO
InChIInChI=1S/C9H10O2/c1-8-9(11-8)6-4-2-3-5-7-10/h8-10H,5,7H2,1H3
InChIKeyKWILSPRXWBUXIR-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.16
Rot. Bonds1

About 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol

6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol (PubChem CID 101409100) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol.

Molecular Properties

Compound Name6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol
PubChem CID101409100
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol
SMILESCC1OC1C#CC#CCCO
InChIInChI=1S/C9H10O2/c1-8-9(11-8)6-4-2-3-5-7-10/h8-10H,5,7H2,1H3
InChIKeyKWILSPRXWBUXIR-UHFFFAOYSA-N
XLogP0.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.16
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

[(2R,3S)-3-hepta-1,3,5-triynyloxiran-2-yl]methanol
CID 44575641
(3-Hepta-1,3,5-triynyloxiran-2-yl)methanol
CID 10261368
Trans-2,3-epoxydeca-4,6,8-triyn-1-ol
CID 70697828
2,3-Epoxydeca-4,6,8-triyn-1-ol
CID 190823
4-Octyne-3,6-diol
CID 546161
But-2-yne-1,4-diol;2-methyloxirane
CID 170852278
(3S,6S)-oct-4-yne-3,6-diol
CID 12209983
Octa-3,5-diyne-1,7-diol
CID 53747524
2-Methyl-4-(3-methyloxiran-2-yl)but-3-yn-2-ol
CID 131851682
7-(3-Ethyloxiran-2-yl)hept-5-yn-3-ol
CID 170848464
Ygmadcgbqrylnd-ocaptikfsa-
CID 44631574
6-[(2S,3S)-3-methyloxiran-2-yl]hexa-3,5-diyn-1-ol
CID 162990334

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol?
The IUPAC name of 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol (CID 101409100) is 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol.
What is the SMILES notation for 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol?
The canonical SMILES for 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol is CC1OC1C#CC#CCCO.
What is the InChIKey of 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol?
The InChIKey is KWILSPRXWBUXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-8-9(11-8)6-4-2-3-5-7-10/h8-10H,5,7H2,1H3.
What are the key properties of 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol?
6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol has a molecular weight of 150.18 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyloxiran-2-yl)hexa-3,5-diyn-1-ol is sourced from PubChem (CID 101409100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).