2-methyldeca-3,5-diyne

C11H16 — CID 10510996

IUPAC2-methyldeca-3,5-diyne
SMILESCCCCC#CC#CC(C)C
InChIInChI=1S/C11H16/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-6H2,1-3H3
InChIKeyQLSVSKOSRXVTMZ-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.84
Rot. Bonds2

About 2-methyldeca-3,5-diyne

2-methyldeca-3,5-diyne (PubChem CID 10510996) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-methyldeca-3,5-diyne.

Molecular Properties

Compound Name2-methyldeca-3,5-diyne
PubChem CID10510996
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-methyldeca-3,5-diyne
SMILESCCCCC#CC#CC(C)C
InChIInChI=1S/C11H16/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-6H2,1-3H3
InChIKeyQLSVSKOSRXVTMZ-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.84
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

2-methylundeca-3,5-diyne
CID 90780674
(3R)-2-methylundeca-4,6-diyn-3-ol
CID 53475577
(3R)-2-methyltricosa-4,6,8-triyn-3-ol
CID 53475583
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
1-bromododeca-5,7-diyne
CID 125480543
trimethyl(octa-1,3-diynyl)silane
CID 12618051
hexadeca-9,11-diyn-1-ol
CID 24975633
pentadeca-5,10-diyne
CID 15530767
nonadeca-1,4,6-triyn-3-ol
CID 138979996
methane;bis(oct-3-yne)
CID 159540057
trimethyl-[(2R)-oct-3-yn-2-yl]stannane
CID 15532108
heptadeca-4,6-diyne-1,8-diol
CID 175955056

Frequently Asked Questions

What is the IUPAC name of 2-methyldeca-3,5-diyne?
The IUPAC name of 2-methyldeca-3,5-diyne (CID 10510996) is 2-methyldeca-3,5-diyne.
What is the SMILES notation for 2-methyldeca-3,5-diyne?
The canonical SMILES for 2-methyldeca-3,5-diyne is CCCCC#CC#CC(C)C.
What is the InChIKey of 2-methyldeca-3,5-diyne?
The InChIKey is QLSVSKOSRXVTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-6H2,1-3H3.
What are the key properties of 2-methyldeca-3,5-diyne?
2-methyldeca-3,5-diyne has a molecular weight of 148.25 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldeca-3,5-diyne is sourced from PubChem (CID 10510996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).