(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne

C7H10O2 — CID 134840075

IUPAC(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne
SMILESC#C[C@H](OC)OCC=C
InChIInChI=1S/C7H10O2/c1-4-6-9-7(5-2)8-3/h2,4,7H,1,6H2,3H3/t7-/m1/s1
InChIKeySQRDQRNGRRFEIW-SSDOTTSWSA-N
MW126.15 g/mol
LogP0.79
Rot. Bonds4

About (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne

(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne (PubChem CID 134840075) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne.

Molecular Properties

Compound Name(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne
PubChem CID134840075
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne
SMILESC#C[C@H](OC)OCC=C
InChIInChI=1S/C7H10O2/c1-4-6-9-7(5-2)8-3/h2,4,7H,1,6H2,3H3/t7-/m1/s1
InChIKeySQRDQRNGRRFEIW-SSDOTTSWSA-N
XLogP0.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne?
The IUPAC name of (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne (CID 134840075) is (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne.
What is the SMILES notation for (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne?
The canonical SMILES for (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne is C#C[C@H](OC)OCC=C.
What is the InChIKey of (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne?
The InChIKey is SQRDQRNGRRFEIW-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-6-9-7(5-2)8-3/h2,4,7H,1,6H2,3H3/t7-/m1/s1.
What are the key properties of (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne?
(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne has a molecular weight of 126.15 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-3-prop-2-enoxyprop-1-yne is sourced from PubChem (CID 134840075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).