ethane-1,2-diol;ethynylcyclopropane

C7H12O2 — CID 90281730

IUPACethane-1,2-diol;ethynylcyclopropane
SMILESC#CC1CC1.OCCO
InChIInChI=1S/C5H6.C2H6O2/c1-2-5-3-4-5;3-1-2-4/h1,5H,3-4H2;3-4H,1-2H2
InChIKeyKDWMGWINZKXSQX-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.00
Rot. Bonds1

About ethane-1,2-diol;ethynylcyclopropane

ethane-1,2-diol;ethynylcyclopropane (PubChem CID 90281730) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is ethane-1,2-diol;ethynylcyclopropane.

Molecular Properties

Compound Nameethane-1,2-diol;ethynylcyclopropane
PubChem CID90281730
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Nameethane-1,2-diol;ethynylcyclopropane
SMILESC#CC1CC1.OCCO
InChIInChI=1S/C5H6.C2H6O2/c1-2-5-3-4-5;3-1-2-4/h1,5H,3-4H2;3-4H,1-2H2
InChIKeyKDWMGWINZKXSQX-UHFFFAOYSA-N
XLogP0.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-ethynylcyclohexane
CID 147846711
1-(4-ethynylcyclohexyl)ethane-1,1-diol
CID 174392654
tris(ethynylcyclohexane);phosphorous acid
CID 175386869
1-ethynyl-4-methylcyclohexane;formaldehyde
CID 171105217
1-ethynyl-4-(4-methylcyclohexyl)cyclohexane
CID 23556447
4-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phosphinane
CID 89441929
(4-ethynylcyclohexyl)carbamic acid
CID 90421089
magnesium;ethynylcyclobutane;hydride;hydrobromide
CID 173220731
1-ethyl-3-ethynylcyclopentane
CID 143708095
1-(4-ethynylpiperidin-1-yl)propan-1-one
CID 138985920
trans-(1R,3R)-1,3-diethynylcyclohexane
CID 45079190
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethynylcyclopropane?
The IUPAC name of ethane-1,2-diol;ethynylcyclopropane (CID 90281730) is ethane-1,2-diol;ethynylcyclopropane.
What is the SMILES notation for ethane-1,2-diol;ethynylcyclopropane?
The canonical SMILES for ethane-1,2-diol;ethynylcyclopropane is C#CC1CC1.OCCO.
What is the InChIKey of ethane-1,2-diol;ethynylcyclopropane?
The InChIKey is KDWMGWINZKXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C2H6O2/c1-2-5-3-4-5;3-1-2-4/h1,5H,3-4H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethynylcyclopropane?
ethane-1,2-diol;ethynylcyclopropane has a molecular weight of 128.17 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethynylcyclopropane is sourced from PubChem (CID 90281730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).