(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene

C29H58 — CID 154603547

IUPAC(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene
SMILESC=C(C)CC(C)(C)CC(C)(C)C[C@@H](CC(C)(C)CC(C)(C)CC(C)(C)C)C(C)C
InChIInChI=1S/C29H58/c1-22(2)16-26(8,9)20-27(10,11)17-24(23(3)4)18-28(12,13)21-29(14,15)19-25(5,6)7/h23-24H,1,16-21H2,2-15H3/t24-/m0/s1
InChIKeySRSFJCODQICZTK-DEOSSOPVSA-N
MW406.78 g/mol
LogP10.33
Rot. Bonds12

About (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene

(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene (PubChem CID 154603547) has the molecular formula C29H58 and a molecular weight of 406.78 g/mol. Its IUPAC name is (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene.

Molecular Properties

Compound Name(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene
PubChem CID154603547
Molecular FormulaC29H58
Molecular Weight406.78 g/mol
Exact Mass406.45
IUPAC Name(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene
SMILESC=C(C)CC(C)(C)CC(C)(C)C[C@@H](CC(C)(C)CC(C)(C)CC(C)(C)C)C(C)C
InChIInChI=1S/C29H58/c1-22(2)16-26(8,9)20-27(10,11)17-24(23(3)4)18-28(12,13)21-29(14,15)19-25(5,6)7/h23-24H,1,16-21H2,2-15H3/t24-/m0/s1
InChIKeySRSFJCODQICZTK-DEOSSOPVSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.78
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene with MolForge

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Related Compounds

2,4,4,6,6,8,8-heptamethylnon-1-ene
CID 545785
2,4,4,6,6,8,8,10,10-nonamethylundec-1-ene
CID 163753121
2,4,4,6,6,8,8-heptamethylundec-1-ene
CID 140893403
2,2,4,4,6,6-hexamethylheptane
CID 2795065
2,4,4,6,6,8,8-heptamethylnonylsilane
CID 150942807
(E)-2,3,4,6,6,8,8-heptamethylnon-3-ene;2,2,4,4,8,8,10,10-octamethyl-6-methylideneundecane;2,4,4,6,6-pentamethylhept-1-ene;2,4,4,6,6-pentamethylhept-2-ene;(Z)-3,5,5,7,7-pentamethyloct-2-ene
CID 164991654
propane;2,4,4-trimethylpent-1-ene
CID 145388380
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
4,4,6-trimethylhept-6-enenitrile
CID 163774167
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

Frequently Asked Questions

What is the IUPAC name of (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene?
The IUPAC name of (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene (CID 154603547) is (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene.
What is the SMILES notation for (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene?
The canonical SMILES for (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene is C=C(C)CC(C)(C)CC(C)(C)C[C@@H](CC(C)(C)CC(C)(C)CC(C)(C)C)C(C)C.
What is the InChIKey of (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene?
The InChIKey is SRSFJCODQICZTK-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H58/c1-22(2)16-26(8,9)20-27(10,11)17-24(23(3)4)18-28(12,13)21-29(14,15)19-25(5,6)7/h23-24H,1,16-21H2,2-15H3/t24-/m0/s1.
What are the key properties of (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene?
(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene has a molecular weight of 406.78 g/mol, XLogP of 10.33, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene is sourced from PubChem (CID 154603547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).