2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium

C17H34V — CID 159855533

IUPAC2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium
SMILESCC(C)=C(C)C(C)(C)CC(C)(C)CC(C)(C)C.[V]
InChIInChI=1S/C17H34.V/c1-13(2)14(3)17(9,10)12-16(7,8)11-15(4,5)6;/h11-12H2,1-10H3;
InChIKeyNQMCQUFXEUWKGI-UHFFFAOYSA-N
MW289.40 g/mol
LogP6.22
Rot. Bonds4

About 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium

2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium (PubChem CID 159855533) has the molecular formula C17H34V and a molecular weight of 289.40 g/mol. Its IUPAC name is 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium.

Molecular Properties

Compound Name2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium
PubChem CID159855533
Molecular FormulaC17H34V
Molecular Weight289.40 g/mol
Exact Mass289.21
IUPAC Name2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium
SMILESCC(C)=C(C)C(C)(C)CC(C)(C)CC(C)(C)C.[V]
InChIInChI=1S/C17H34.V/c1-13(2)14(3)17(9,10)12-16(7,8)11-15(4,5)6;/h11-12H2,1-10H3;
InChIKeyNQMCQUFXEUWKGI-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 56.22
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

2,3,4,4,6,6,8,8-octamethylnon-2-ene
CID 58468529
2,2,4,4,6,6-hexamethylheptane
CID 2795065
1-(2,4,4-trimethylpentan-2-yl)-2-(2,4,4,5,6,7,7,9,9,10,11-undecamethyldodeca-5,10-dien-2-yl)cyclopropane
CID 59939112
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
2,2,4,4,6,6,7,7,9,9,11,11-dodecamethyldodecane
CID 158947018
2,4,4,6,6,8,8,10,10-nonamethylundec-1-ene
CID 163753121
2,4,4,6,6,8,8-heptamethylnon-1-ene
CID 545785
2,4,4,6,6-pentamethylheptan-2-ylchloranium
CID 140547290
2,4,4,6,6-pentamethylheptan-2-ylazanium
CID 23591642
N-methyl-N-(2,2,4,4-tetramethylpentyl)acetamide
CID 170423404
3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol
CID 88785461
2-(2,2,4,4-tetramethylpentyl)propane-1,3-diol
CID 59345678

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium?
The IUPAC name of 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium (CID 159855533) is 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium.
What is the SMILES notation for 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium?
The canonical SMILES for 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium is CC(C)=C(C)C(C)(C)CC(C)(C)CC(C)(C)C.[V].
What is the InChIKey of 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium?
The InChIKey is NQMCQUFXEUWKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34.V/c1-13(2)14(3)17(9,10)12-16(7,8)11-15(4,5)6;/h11-12H2,1-10H3;.
What are the key properties of 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium?
2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium has a molecular weight of 289.40 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium is sourced from PubChem (CID 159855533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).