14,14-dimethyltricos-9-yne

C25H48 — CID 15730858

IUPAC14,14-dimethyltricos-9-yne
SMILESCCCCCCCCC#CCCCC(C)(C)CCCCCCCCC
InChIInChI=1S/C25H48/c1-5-7-9-11-13-14-15-16-18-20-22-24-25(3,4)23-21-19-17-12-10-8-6-2/h5-15,17,19-24H2,1-4H3
InChIKeyWMFVZQVYAAGCNQ-UHFFFAOYSA-N
MW348.66 g/mol
LogP9.08
Rot. Bonds17

About 14,14-dimethyltricos-9-yne

14,14-dimethyltricos-9-yne (PubChem CID 15730858) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is 14,14-dimethyltricos-9-yne.

Molecular Properties

Compound Name14,14-dimethyltricos-9-yne
PubChem CID15730858
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name14,14-dimethyltricos-9-yne
SMILESCCCCCCCCC#CCCCC(C)(C)CCCCCCCCC
InChIInChI=1S/C25H48/c1-5-7-9-11-13-14-15-16-18-20-22-24-25(3,4)23-21-19-17-12-10-8-6-2/h5-15,17,19-24H2,1-4H3
InChIKeyWMFVZQVYAAGCNQ-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 59.08
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

(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2,2,4,4,6,6,8-Heptamethylnonane
CID 27137
2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
CID 137802
7-Octadecyne, 2-methyl-
CID 118810
Heptadecane, 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethyl-
CID 3085224
Octadecane, 9-ethyl-9-heptyl-
CID 298664
2,2,4,4,5,5,7,7-Octamethyloctane
CID 78850
Undecane, 5-ethyl-5-propyl-
CID 520323
5,5-Dibutylnonane
CID 521916
2,2-Dimethyltetradecane
CID 545801
3-Ethyl-3-methylheptadecane
CID 11536486
2,2-Dimethyloctadecane
CID 23085459

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyltricos-9-yne?
The IUPAC name of 14,14-dimethyltricos-9-yne (CID 15730858) is 14,14-dimethyltricos-9-yne.
What is the SMILES notation for 14,14-dimethyltricos-9-yne?
The canonical SMILES for 14,14-dimethyltricos-9-yne is CCCCCCCCC#CCCCC(C)(C)CCCCCCCCC.
What is the InChIKey of 14,14-dimethyltricos-9-yne?
The InChIKey is WMFVZQVYAAGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-5-7-9-11-13-14-15-16-18-20-22-24-25(3,4)23-21-19-17-12-10-8-6-2/h5-15,17,19-24H2,1-4H3.
What are the key properties of 14,14-dimethyltricos-9-yne?
14,14-dimethyltricos-9-yne has a molecular weight of 348.66 g/mol, XLogP of 9.08, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyltricos-9-yne is sourced from PubChem (CID 15730858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).