1-(2-methylprop-1-enoxy)pent-2-yne

C9H14O — CID 125478602

IUPAC1-(2-methylprop-1-enoxy)pent-2-yne
SMILESCCC#CCOC=C(C)C
InChIInChI=1S/C9H14O/c1-4-5-6-7-10-8-9(2)3/h8H,4,7H2,1-3H3
InChIKeyORMHIQQFVPOVRK-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.34
Rot. Bonds2

About 1-(2-methylprop-1-enoxy)pent-2-yne

1-(2-methylprop-1-enoxy)pent-2-yne (PubChem CID 125478602) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(2-methylprop-1-enoxy)pent-2-yne.

Molecular Properties

Compound Name1-(2-methylprop-1-enoxy)pent-2-yne
PubChem CID125478602
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-(2-methylprop-1-enoxy)pent-2-yne
SMILESCCC#CCOC=C(C)C
InChIInChI=1S/C9H14O/c1-4-5-6-7-10-8-9(2)3/h8H,4,7H2,1-3H3
InChIKeyORMHIQQFVPOVRK-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.34
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 1-(2-methylprop-1-enoxy)pent-2-yne?
The IUPAC name of 1-(2-methylprop-1-enoxy)pent-2-yne (CID 125478602) is 1-(2-methylprop-1-enoxy)pent-2-yne.
What is the SMILES notation for 1-(2-methylprop-1-enoxy)pent-2-yne?
The canonical SMILES for 1-(2-methylprop-1-enoxy)pent-2-yne is CCC#CCOC=C(C)C.
What is the InChIKey of 1-(2-methylprop-1-enoxy)pent-2-yne?
The InChIKey is ORMHIQQFVPOVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-5-6-7-10-8-9(2)3/h8H,4,7H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enoxy)pent-2-yne?
1-(2-methylprop-1-enoxy)pent-2-yne has a molecular weight of 138.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enoxy)pent-2-yne is sourced from PubChem (CID 125478602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).