2-methyl-1-prop-2-ynoxyprop-1-ene

C7H10O — CID 11240449

IUPAC2-methyl-1-prop-2-ynoxyprop-1-ene
SMILESC#CCOC=C(C)C
InChIInChI=1S/C7H10O/c1-4-5-8-6-7(2)3/h1,6H,5H2,2-3H3
InChIKeyTWIIKBBTCCJFHI-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.56
Rot. Bonds2

About 2-methyl-1-prop-2-ynoxyprop-1-ene

2-methyl-1-prop-2-ynoxyprop-1-ene (PubChem CID 11240449) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-methyl-1-prop-2-ynoxyprop-1-ene.

Molecular Properties

Compound Name2-methyl-1-prop-2-ynoxyprop-1-ene
PubChem CID11240449
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-methyl-1-prop-2-ynoxyprop-1-ene
SMILESC#CCOC=C(C)C
InChIInChI=1S/C7H10O/c1-4-5-8-6-7(2)3/h1,6H,5H2,2-3H3
InChIKeyTWIIKBBTCCJFHI-UHFFFAOYSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-ynoxyprop-1-ene?
The IUPAC name of 2-methyl-1-prop-2-ynoxyprop-1-ene (CID 11240449) is 2-methyl-1-prop-2-ynoxyprop-1-ene.
What is the SMILES notation for 2-methyl-1-prop-2-ynoxyprop-1-ene?
The canonical SMILES for 2-methyl-1-prop-2-ynoxyprop-1-ene is C#CCOC=C(C)C.
What is the InChIKey of 2-methyl-1-prop-2-ynoxyprop-1-ene?
The InChIKey is TWIIKBBTCCJFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-4-5-8-6-7(2)3/h1,6H,5H2,2-3H3.
What are the key properties of 2-methyl-1-prop-2-ynoxyprop-1-ene?
2-methyl-1-prop-2-ynoxyprop-1-ene has a molecular weight of 110.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-ynoxyprop-1-ene is sourced from PubChem (CID 11240449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).