4-methylnon-1-yne

C10H18 — CID 20743131

IUPAC4-methylnon-1-yne
SMILESC#CCC(C)CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h2,10H,4,6-9H2,1,3H3
InChIKeyUTHILQMCUOEJSI-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.23
Rot. Bonds5

About 4-methylnon-1-yne

4-methylnon-1-yne (PubChem CID 20743131) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 4-methylnon-1-yne.

Molecular Properties

Compound Name4-methylnon-1-yne
PubChem CID20743131
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name4-methylnon-1-yne
SMILESC#CCC(C)CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h2,10H,4,6-9H2,1,3H3
InChIKeyUTHILQMCUOEJSI-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.23
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

6-methyldodec-1-yne
CID 123369200
5-methyldec-2-yne
CID 123137081
13-prop-2-ynylheptacosane
CID 170549839
6,34-bis(prop-2-ynyl)hentetracontane
CID 123247055
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795

Frequently Asked Questions

What is the IUPAC name of 4-methylnon-1-yne?
The IUPAC name of 4-methylnon-1-yne (CID 20743131) is 4-methylnon-1-yne.
What is the SMILES notation for 4-methylnon-1-yne?
The canonical SMILES for 4-methylnon-1-yne is C#CCC(C)CCCCC.
What is the InChIKey of 4-methylnon-1-yne?
The InChIKey is UTHILQMCUOEJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h2,10H,4,6-9H2,1,3H3.
What are the key properties of 4-methylnon-1-yne?
4-methylnon-1-yne has a molecular weight of 138.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnon-1-yne is sourced from PubChem (CID 20743131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).