7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane

C19H38 — CID 123319069

IUPAC7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane
SMILESC=CC(C)(CCCC)C(C)(CC)C(C)CC(C)CC
InChIInChI=1S/C19H38/c1-9-13-14-18(7,11-3)19(8,12-4)17(6)15-16(5)10-2/h11,16-17H,3,9-10,12-15H2,1-2,4-8H3
InChIKeyOSSBLWKJUDYIFE-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.86
Rot. Bonds10

About 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane

7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane (PubChem CID 123319069) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane.

Molecular Properties

Compound Name7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane
PubChem CID123319069
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane
SMILESC=CC(C)(CCCC)C(C)(CC)C(C)CC(C)CC
InChIInChI=1S/C19H38/c1-9-13-14-18(7,11-3)19(8,12-4)17(6)15-16(5)10-2/h11,16-17H,3,9-10,12-15H2,1-2,4-8H3
InChIKeyOSSBLWKJUDYIFE-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5,8,8-tetramethyldodecane
CID 123736669
2,4-dimethylhexane;hexane
CID 174686373
ethane;3-methyl-3-propan-2-ylhept-1-ene
CID 162730739
3,3,6-trimethyloct-1-ene
CID 123906537
3,5-dimethylhept-1-ene;ethane;heptane;2-methylpentane
CID 163391966
2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
CID 101446483
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene
CID 90833224
2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635
3-ethyl-5,6,6-trimethyldecane
CID 123403358
4,4,7-trimethylundec-1-ene
CID 143332601
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane?
The IUPAC name of 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane (CID 123319069) is 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane.
What is the SMILES notation for 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane?
The canonical SMILES for 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane is C=CC(C)(CCCC)C(C)(CC)C(C)CC(C)CC.
What is the InChIKey of 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane?
The InChIKey is OSSBLWKJUDYIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-9-13-14-18(7,11-3)19(8,12-4)17(6)15-16(5)10-2/h11,16-17H,3,9-10,12-15H2,1-2,4-8H3.
What are the key properties of 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane?
7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane has a molecular weight of 266.51 g/mol, XLogP of 6.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane is sourced from PubChem (CID 123319069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).