ethane;pent-2-yne

C9H20 — CID 165013869

IUPACethane;pent-2-yne
SMILESCC.CC.CC#CCC
InChIInChI=1S/C5H8.2C2H6/c1-3-5-4-2;2*1-2/h3H2,1-2H3;2*1-2H3
InChIKeyKCMLISRAVVDVAL-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds

About ethane;pent-2-yne

ethane;pent-2-yne (PubChem CID 165013869) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is ethane;pent-2-yne.

Molecular Properties

Compound Nameethane;pent-2-yne
PubChem CID165013869
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Nameethane;pent-2-yne
SMILESCC.CC.CC#CCC
InChIInChI=1S/C5H8.2C2H6/c1-3-5-4-2;2*1-2/h3H2,1-2H3;2*1-2H3
InChIKeyKCMLISRAVVDVAL-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102-henpentacontayne
CID 58245632
1-bromobut-2-yne
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CID 158267210
but-2-yne;ethane
CID 144521092
5-ethylhept-2-yne
CID 54215545
cobalt;hept-2-yne
CID 174831630
6-but-2-ynylundeca-3,7-diyne
CID 173369123
but-2-yne;ethane;2-methylpropane
CID 144864902
ethane;hex-2-yne;1H-pyrrole
CID 90838950
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CID 90689143

Frequently Asked Questions

What is the IUPAC name of ethane;pent-2-yne?
The IUPAC name of ethane;pent-2-yne (CID 165013869) is ethane;pent-2-yne.
What is the SMILES notation for ethane;pent-2-yne?
The canonical SMILES for ethane;pent-2-yne is CC.CC.CC#CCC.
What is the InChIKey of ethane;pent-2-yne?
The InChIKey is KCMLISRAVVDVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.2C2H6/c1-3-5-4-2;2*1-2/h3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;pent-2-yne?
ethane;pent-2-yne has a molecular weight of 128.26 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pent-2-yne is sourced from PubChem (CID 165013869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).