3,7,11,15-tetramethylhexadec-1-yne

C20H38 — CID 90737632

IUPAC3,7,11,15-tetramethylhexadec-1-yne
SMILESC#CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h1,17-20H,8-16H2,2-6H3
InChIKeyPIULEBXZQOFYIU-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.69
Rot. Bonds12

About 3,7,11,15-tetramethylhexadec-1-yne

3,7,11,15-tetramethylhexadec-1-yne (PubChem CID 90737632) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadec-1-yne.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadec-1-yne
PubChem CID90737632
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name3,7,11,15-tetramethylhexadec-1-yne
SMILESC#CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h1,17-20H,8-16H2,2-6H3
InChIKeyPIULEBXZQOFYIU-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.69
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

3,7-dimethylnon-1-yne
CID 123724233
6,10,14-trimethylpentadec-1-yne
CID 72780458
2,5,9,13-tetramethyltetradecane
CID 58292409
(3R)-3-methyloct-1-yne
CID 59216928
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
3,7-dimethyloctan-1-ol
CID 7792
2,6,10,14,19-pentamethyltetracosane
CID 6428632
(3R)-3,7-dimethyloctan-1-amine
CID 92974894
2,6-dimethylundecane
CID 28453
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
2,6,10,15,19-pentamethylhenicosane
CID 6428617
3,7,11,15-tetramethylhexadecylgallane
CID 174707879

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadec-1-yne?
The IUPAC name of 3,7,11,15-tetramethylhexadec-1-yne (CID 90737632) is 3,7,11,15-tetramethylhexadec-1-yne.
What is the SMILES notation for 3,7,11,15-tetramethylhexadec-1-yne?
The canonical SMILES for 3,7,11,15-tetramethylhexadec-1-yne is C#CC(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11,15-tetramethylhexadec-1-yne?
The InChIKey is PIULEBXZQOFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h1,17-20H,8-16H2,2-6H3.
What are the key properties of 3,7,11,15-tetramethylhexadec-1-yne?
3,7,11,15-tetramethylhexadec-1-yne has a molecular weight of 278.52 g/mol, XLogP of 6.69, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadec-1-yne is sourced from PubChem (CID 90737632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).