1-pentan-2-yloxypent-1-yne

C10H18O — CID 54504903

IUPAC1-pentan-2-yloxypent-1-yne
SMILESCCCC#COC(C)CCC
InChIInChI=1S/C10H18O/c1-4-6-7-9-11-10(3)8-5-2/h10H,4-6,8H2,1-3H3
InChIKeyOLKIPTJBEAIISN-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.95
Rot. Bonds4

About 1-pentan-2-yloxypent-1-yne

1-pentan-2-yloxypent-1-yne (PubChem CID 54504903) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-pentan-2-yloxypent-1-yne.

Molecular Properties

Compound Name1-pentan-2-yloxypent-1-yne
PubChem CID54504903
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-pentan-2-yloxypent-1-yne
SMILESCCCC#COC(C)CCC
InChIInChI=1S/C10H18O/c1-4-6-7-9-11-10(3)8-5-2/h10H,4-6,8H2,1-3H3
InChIKeyOLKIPTJBEAIISN-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-but-1-ynoxybutan-1-amine
CID 138695683
1-propan-2-yloxyoct-1-yne
CID 174437797
2-[di(pentan-2-yloxy)methoxy]pentane
CID 19428773
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
pentan-2-yl methanesulfonate
CID 12859934
pentan-2-ylsulfanium chloride
CID 172855201
2-ethoxyhept-3-yne
CID 91390030
pentan-2-yl hydrogen sulfate
CID 23335662
trimethyl(pentan-2-yloxy)silane
CID 552847
(2R)-hept-3-yn-2-ol
CID 11457676
2-pentan-3-yloxypentane
CID 91256227
(2S)-oct-4-yn-2-ol
CID 40565463

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yloxypent-1-yne?
The IUPAC name of 1-pentan-2-yloxypent-1-yne (CID 54504903) is 1-pentan-2-yloxypent-1-yne.
What is the SMILES notation for 1-pentan-2-yloxypent-1-yne?
The canonical SMILES for 1-pentan-2-yloxypent-1-yne is CCCC#COC(C)CCC.
What is the InChIKey of 1-pentan-2-yloxypent-1-yne?
The InChIKey is OLKIPTJBEAIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-7-9-11-10(3)8-5-2/h10H,4-6,8H2,1-3H3.
What are the key properties of 1-pentan-2-yloxypent-1-yne?
1-pentan-2-yloxypent-1-yne has a molecular weight of 154.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yloxypent-1-yne is sourced from PubChem (CID 54504903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).