2,4,4,6,6,8,8-heptamethylnon-1-ene

C16H32 — CID 545785

IUPAC2,4,4,6,6,8,8-heptamethylnon-1-ene
SMILESC=C(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h1,10-12H2,2-9H3
InChIKeyUANJDEPRRZDYGA-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.83
Rot. Bonds5

About 2,4,4,6,6,8,8-heptamethylnon-1-ene

2,4,4,6,6,8,8-heptamethylnon-1-ene (PubChem CID 545785) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2,4,4,6,6,8,8-heptamethylnon-1-ene.

Molecular Properties

Compound Name2,4,4,6,6,8,8-heptamethylnon-1-ene
PubChem CID545785
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2,4,4,6,6,8,8-heptamethylnon-1-ene
SMILESC=C(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h1,10-12H2,2-9H3
InChIKeyUANJDEPRRZDYGA-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.83
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

2,4,4,6,6,8,8,10,10-nonamethylundec-1-ene
CID 163753121
(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene
CID 154603547
2,4,4,6,6,8,8-heptamethylundec-1-ene
CID 140893403
2,2,4,4,6,6-hexamethylheptane
CID 2795065
propane;2,4,4-trimethylpent-1-ene
CID 145388380
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
2,4,4-trimethylhepta-1,6-diene
CID 15205594
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
ethane;ethanol;N,2,2,4-tetramethylpent-4-en-1-amine
CID 166167866
2,2,4,4,6,6,7,7,9,9,11,11-dodecamethyldodecane
CID 158947018
N,3,3,5-tetramethylhex-5-en-1-amine
CID 81023086
2,3,4,4,6,6,8,8-octamethylnon-2-ene
CID 58468529

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,8,8-heptamethylnon-1-ene?
The IUPAC name of 2,4,4,6,6,8,8-heptamethylnon-1-ene (CID 545785) is 2,4,4,6,6,8,8-heptamethylnon-1-ene.
What is the SMILES notation for 2,4,4,6,6,8,8-heptamethylnon-1-ene?
The canonical SMILES for 2,4,4,6,6,8,8-heptamethylnon-1-ene is C=C(C)CC(C)(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4,6,6,8,8-heptamethylnon-1-ene?
The InChIKey is UANJDEPRRZDYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h1,10-12H2,2-9H3.
What are the key properties of 2,4,4,6,6,8,8-heptamethylnon-1-ene?
2,4,4,6,6,8,8-heptamethylnon-1-ene has a molecular weight of 224.43 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,8,8-heptamethylnon-1-ene is sourced from PubChem (CID 545785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).