1-propan-2-yloxypent-2-yne

C8H14O — CID 20782639

IUPAC1-propan-2-yloxypent-2-yne
SMILESCCC#CCOC(C)C
InChIInChI=1S/C8H14O/c1-4-5-6-7-9-8(2)3/h8H,4,7H2,1-3H3
InChIKeyHPIMIHBDXUVPFG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds2

About 1-propan-2-yloxypent-2-yne

1-propan-2-yloxypent-2-yne (PubChem CID 20782639) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-propan-2-yloxypent-2-yne.

Molecular Properties

Compound Name1-propan-2-yloxypent-2-yne
PubChem CID20782639
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-propan-2-yloxypent-2-yne
SMILESCCC#CCOC(C)C
InChIInChI=1S/C8H14O/c1-4-5-6-7-9-8(2)3/h8H,4,7H2,1-3H3
InChIKeyHPIMIHBDXUVPFG-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.82
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-propan-2-yloxypent-2-yne?
The IUPAC name of 1-propan-2-yloxypent-2-yne (CID 20782639) is 1-propan-2-yloxypent-2-yne.
What is the SMILES notation for 1-propan-2-yloxypent-2-yne?
The canonical SMILES for 1-propan-2-yloxypent-2-yne is CCC#CCOC(C)C.
What is the InChIKey of 1-propan-2-yloxypent-2-yne?
The InChIKey is HPIMIHBDXUVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-6-7-9-8(2)3/h8H,4,7H2,1-3H3.
What are the key properties of 1-propan-2-yloxypent-2-yne?
1-propan-2-yloxypent-2-yne has a molecular weight of 126.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxypent-2-yne is sourced from PubChem (CID 20782639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).