5-ethyl-7-methyl-4-propyloct-1-yne

C14H26 — CID 123153903

IUPAC5-ethyl-7-methyl-4-propyloct-1-yne
SMILESC#CCC(CCC)C(CC)CC(C)C
InChIInChI=1S/C14H26/c1-6-9-14(10-7-2)13(8-3)11-12(4)5/h1,12-14H,7-11H2,2-5H3
InChIKeyVUNRCBIERXBHJV-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.50
Rot. Bonds7

About 5-ethyl-7-methyl-4-propyloct-1-yne

5-ethyl-7-methyl-4-propyloct-1-yne (PubChem CID 123153903) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 5-ethyl-7-methyl-4-propyloct-1-yne.

Molecular Properties

Compound Name5-ethyl-7-methyl-4-propyloct-1-yne
PubChem CID123153903
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name5-ethyl-7-methyl-4-propyloct-1-yne
SMILESC#CCC(CCC)C(CC)CC(C)C
InChIInChI=1S/C14H26/c1-6-9-14(10-7-2)13(8-3)11-12(4)5/h1,12-14H,7-11H2,2-5H3
InChIKeyVUNRCBIERXBHJV-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.50
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

4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
2-methyl-4-propan-2-ylheptane
CID 21201044
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
2,5-dimethyl-4-propyloctane
CID 57491236
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
4,5-diethyloctane
CID 519254
(3R)-3-ethyl-2-methylhexane
CID 59954424
4-ethyl-2-methylheptane;methane
CID 160575103
4,5,7-triethylundecane
CID 123222302
6-ethyl-2,5-dimethylnonane
CID 54499682
(4R)-5-ethylhept-1-yn-4-ol
CID 130123346
4-methyl-10-(2-methylheptan-4-yl)heptadecane
CID 123244941

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methyl-4-propyloct-1-yne?
The IUPAC name of 5-ethyl-7-methyl-4-propyloct-1-yne (CID 123153903) is 5-ethyl-7-methyl-4-propyloct-1-yne.
What is the SMILES notation for 5-ethyl-7-methyl-4-propyloct-1-yne?
The canonical SMILES for 5-ethyl-7-methyl-4-propyloct-1-yne is C#CCC(CCC)C(CC)CC(C)C.
What is the InChIKey of 5-ethyl-7-methyl-4-propyloct-1-yne?
The InChIKey is VUNRCBIERXBHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-9-14(10-7-2)13(8-3)11-12(4)5/h1,12-14H,7-11H2,2-5H3.
What are the key properties of 5-ethyl-7-methyl-4-propyloct-1-yne?
5-ethyl-7-methyl-4-propyloct-1-yne has a molecular weight of 194.36 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methyl-4-propyloct-1-yne is sourced from PubChem (CID 123153903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).