4-ethynyldodecane

C14H26 — CID 15570330

IUPAC4-ethynyldodecane
SMILESC#CC(CCC)CCCCCCCC
InChIInChI=1S/C14H26/c1-4-7-8-9-10-11-13-14(6-3)12-5-2/h3,14H,4-5,7-13H2,1-2H3
InChIKeyZYKSSKCSOQQXOT-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.79
Rot. Bonds9

About 4-ethynyldodecane

4-ethynyldodecane (PubChem CID 15570330) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 4-ethynyldodecane.

Molecular Properties

Compound Name4-ethynyldodecane
PubChem CID15570330
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name4-ethynyldodecane
SMILESC#CC(CCC)CCCCCCCC
InChIInChI=1S/C14H26/c1-4-7-8-9-10-11-13-14(6-3)12-5-2/h3,14H,4-5,7-13H2,1-2H3
InChIKeyZYKSSKCSOQQXOT-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.79
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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Related Compounds

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2-octyldodecanenitrile
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(3R)-3-methyloct-1-yne
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lithium;butane;7-(2,2-dibromoethenyl)pentadecane;7-ethynylpentadecane
CID 159537140
3-methylsulfanylnon-1-yne
CID 91502875
3-ethynylnon-1-yn-4-ol;molecular hydrogen
CID 162219513
6,34-bis(prop-2-ynyl)hentetracontane
CID 123247055
13-prop-2-ynylheptacosane
CID 170549839
8-hexyl-7-propyltriacontane
CID 21490607
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579

Frequently Asked Questions

What is the IUPAC name of 4-ethynyldodecane?
The IUPAC name of 4-ethynyldodecane (CID 15570330) is 4-ethynyldodecane.
What is the SMILES notation for 4-ethynyldodecane?
The canonical SMILES for 4-ethynyldodecane is C#CC(CCC)CCCCCCCC.
What is the InChIKey of 4-ethynyldodecane?
The InChIKey is ZYKSSKCSOQQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-7-8-9-10-11-13-14(6-3)12-5-2/h3,14H,4-5,7-13H2,1-2H3.
What are the key properties of 4-ethynyldodecane?
4-ethynyldodecane has a molecular weight of 194.36 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyldodecane is sourced from PubChem (CID 15570330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).