6,10,14-trimethylpentadec-1-yne

C18H34 — CID 72780458

IUPAC6,10,14-trimethylpentadec-1-yne
SMILESC#CCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C18H34/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h1,16-18H,7-15H2,2-5H3
InChIKeyUUUPPGXUYXYLOI-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.06
Rot. Bonds11

About 6,10,14-trimethylpentadec-1-yne

6,10,14-trimethylpentadec-1-yne (PubChem CID 72780458) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 6,10,14-trimethylpentadec-1-yne.

Molecular Properties

Compound Name6,10,14-trimethylpentadec-1-yne
PubChem CID72780458
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name6,10,14-trimethylpentadec-1-yne
SMILESC#CCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C18H34/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h1,16-18H,7-15H2,2-5H3
InChIKeyUUUPPGXUYXYLOI-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.06
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

12-methyltridec-1-yne
CID 10921423
6-methyldodec-1-yne
CID 123369200
3,7,11,15-tetramethylhexadec-1-yne
CID 90737632
2,5,9,13-tetramethyltetradecane
CID 58292409
6,10-dimethylundec-9-en-1-yne
CID 175139097
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2,6,10,14,19,23-hexamethylhexacosane
CID 6428620
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

Frequently Asked Questions

What is the IUPAC name of 6,10,14-trimethylpentadec-1-yne?
The IUPAC name of 6,10,14-trimethylpentadec-1-yne (CID 72780458) is 6,10,14-trimethylpentadec-1-yne.
What is the SMILES notation for 6,10,14-trimethylpentadec-1-yne?
The canonical SMILES for 6,10,14-trimethylpentadec-1-yne is C#CCCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 6,10,14-trimethylpentadec-1-yne?
The InChIKey is UUUPPGXUYXYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h1,16-18H,7-15H2,2-5H3.
What are the key properties of 6,10,14-trimethylpentadec-1-yne?
6,10,14-trimethylpentadec-1-yne has a molecular weight of 250.47 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethylpentadec-1-yne is sourced from PubChem (CID 72780458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).