1-methoxybut-2-yne;pent-2-yne

C10H16O — CID 159096944

IUPAC1-methoxybut-2-yne;pent-2-yne
SMILESCC#CCC.CC#CCOC
InChIInChI=1S/C5H8O.C5H8/c1-3-4-5-6-2;1-3-5-4-2/h5H2,1-2H3;3H2,1-2H3
InChIKeyKCUDLEZUNAYNMN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds1

About 1-methoxybut-2-yne;pent-2-yne

1-methoxybut-2-yne;pent-2-yne (PubChem CID 159096944) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methoxybut-2-yne;pent-2-yne.

Molecular Properties

Compound Name1-methoxybut-2-yne;pent-2-yne
PubChem CID159096944
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-methoxybut-2-yne;pent-2-yne
SMILESCC#CCC.CC#CCOC
InChIInChI=1S/C5H8O.C5H8/c1-3-4-5-6-2;1-3-5-4-2/h5H2,1-2H3;3H2,1-2H3
InChIKeyKCUDLEZUNAYNMN-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxybut-2-yne;pent-2-yne?
The IUPAC name of 1-methoxybut-2-yne;pent-2-yne (CID 159096944) is 1-methoxybut-2-yne;pent-2-yne.
What is the SMILES notation for 1-methoxybut-2-yne;pent-2-yne?
The canonical SMILES for 1-methoxybut-2-yne;pent-2-yne is CC#CCC.CC#CCOC.
What is the InChIKey of 1-methoxybut-2-yne;pent-2-yne?
The InChIKey is KCUDLEZUNAYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C5H8/c1-3-4-5-6-2;1-3-5-4-2/h5H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-methoxybut-2-yne;pent-2-yne?
1-methoxybut-2-yne;pent-2-yne has a molecular weight of 152.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybut-2-yne;pent-2-yne is sourced from PubChem (CID 159096944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).