3-(1-propoxyethyl)cyclobutyne

C9H14O — CID 88950549

IUPAC3-(1-propoxyethyl)cyclobutyne
SMILESCCCOC(C)C1C#CC1
InChIInChI=1S/C9H14O/c1-3-7-10-8(2)9-5-4-6-9/h8-9H,3,5,7H2,1-2H3
InChIKeySKANFFVFXZZLBD-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.82
Rot. Bonds4

About 3-(1-propoxyethyl)cyclobutyne

3-(1-propoxyethyl)cyclobutyne (PubChem CID 88950549) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(1-propoxyethyl)cyclobutyne.

Molecular Properties

Compound Name3-(1-propoxyethyl)cyclobutyne
PubChem CID88950549
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-(1-propoxyethyl)cyclobutyne
SMILESCCCOC(C)C1C#CC1
InChIInChI=1S/C9H14O/c1-3-7-10-8(2)9-5-4-6-9/h8-9H,3,5,7H2,1-2H3
InChIKeySKANFFVFXZZLBD-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
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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Related Compounds

1-propoxyethylcyclopentane
CID 159612357
(2R,3R)-2,3-dipropoxybutane
CID 118445331
1-hexoxyethylcyclopropane
CID 91079352
1-(dipropoxymethyl)-2-methylcyclopropane
CID 59066798
N-(2-propoxypropyl)cyclopropanamine
CID 62451872
magnesium;hydride;1-propoxyethanol
CID 174529104
CID 123186156
CID 123186156
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153
N,N-diethyl-1-propoxyethanamine
CID 173093623
2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane
CID 87443320
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
bis(2-methylpropyl)-(1-propoxyethoxy)alumane
CID 139905267

Frequently Asked Questions

What is the IUPAC name of 3-(1-propoxyethyl)cyclobutyne?
The IUPAC name of 3-(1-propoxyethyl)cyclobutyne (CID 88950549) is 3-(1-propoxyethyl)cyclobutyne.
What is the SMILES notation for 3-(1-propoxyethyl)cyclobutyne?
The canonical SMILES for 3-(1-propoxyethyl)cyclobutyne is CCCOC(C)C1C#CC1.
What is the InChIKey of 3-(1-propoxyethyl)cyclobutyne?
The InChIKey is SKANFFVFXZZLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-7-10-8(2)9-5-4-6-9/h8-9H,3,5,7H2,1-2H3.
What are the key properties of 3-(1-propoxyethyl)cyclobutyne?
3-(1-propoxyethyl)cyclobutyne has a molecular weight of 138.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propoxyethyl)cyclobutyne is sourced from PubChem (CID 88950549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).