1-but-2-ynyl-2-decylcyclopropane

C17H30 — CID 54007015

IUPAC1-but-2-ynyl-2-decylcyclopropane
SMILESCC#CCC1CC1CCCCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-8-9-10-11-12-14-17-15-16(17)13-6-4-2/h16-17H,3,5,7-15H2,1-2H3
InChIKeyLWTZVFGSKQZMRX-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.57
Rot. Bonds10

About 1-but-2-ynyl-2-decylcyclopropane

1-but-2-ynyl-2-decylcyclopropane (PubChem CID 54007015) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-but-2-ynyl-2-decylcyclopropane.

Molecular Properties

Compound Name1-but-2-ynyl-2-decylcyclopropane
PubChem CID54007015
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-but-2-ynyl-2-decylcyclopropane
SMILESCC#CCC1CC1CCCCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-8-9-10-11-12-14-17-15-16(17)13-6-4-2/h16-17H,3,5,7-15H2,1-2H3
InChIKeyLWTZVFGSKQZMRX-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-but-2-ynyl-2-decylcyclopropane?
The IUPAC name of 1-but-2-ynyl-2-decylcyclopropane (CID 54007015) is 1-but-2-ynyl-2-decylcyclopropane.
What is the SMILES notation for 1-but-2-ynyl-2-decylcyclopropane?
The canonical SMILES for 1-but-2-ynyl-2-decylcyclopropane is CC#CCC1CC1CCCCCCCCCC.
What is the InChIKey of 1-but-2-ynyl-2-decylcyclopropane?
The InChIKey is LWTZVFGSKQZMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-3-5-7-8-9-10-11-12-14-17-15-16(17)13-6-4-2/h16-17H,3,5,7-15H2,1-2H3.
What are the key properties of 1-but-2-ynyl-2-decylcyclopropane?
1-but-2-ynyl-2-decylcyclopropane has a molecular weight of 234.43 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynyl-2-decylcyclopropane is sourced from PubChem (CID 54007015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).