(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

C73H146 — CID 164991654

IUPAC(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
SMILESC/C(CC(C)(C)CC(C)(C)C)=C(/C)C(C)C.C/C=C(/C)CC(C)(C)CC(C)(C)C.C=C(C)CC(C)(C)CC(C)(C)C.C=C(CC(C)(C)CC(C)(C)C)CC(C)(C)CC(C)(C)C.CC(C)=CC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H40.C16H32.C13H26.2C12H24/c1-16(12-19(8,9)14-17(2,3)4)13-20(10,11)15-18(5,6)7;1-12(2)14(4)13(3)10-16(8,9)11-15(5,6)7;1-8-11(2)9-13(6,7)10-12(3,4)5;2*1-10(2)8-12(6,7)9-11(3,4)5/h1,12-15H2,2-11H3;12H,10-11H2,1-9H3;8H,9-10H2,1-7H3;8H,9H2,1-7H3;1,8-9H2,2-7H3/b;14-13+;11-8-;;
InChIKeyGYELDEGFKRYSED-NOYUGBCESA-N
MW1023.97 g/mol
LogP26.71
Rot. Bonds18

About (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

(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 (PubChem CID 164991654) has the molecular formula C73H146 and a molecular weight of 1023.97 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164991654
Molecular FormulaC73H146
Molecular Weight1023.97 g/mol
Exact Mass1023.14
IUPAC Name(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
SMILESC/C(CC(C)(C)CC(C)(C)C)=C(/C)C(C)C.C/C=C(/C)CC(C)(C)CC(C)(C)C.C=C(C)CC(C)(C)CC(C)(C)C.C=C(CC(C)(C)CC(C)(C)C)CC(C)(C)CC(C)(C)C.CC(C)=CC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H40.C16H32.C13H26.2C12H24/c1-16(12-19(8,9)14-17(2,3)4)13-20(10,11)15-18(5,6)7;1-12(2)14(4)13(3)10-16(8,9)11-15(5,6)7;1-8-11(2)9-13(6,7)10-12(3,4)5;2*1-10(2)8-12(6,7)9-11(3,4)5/h1,12-15H2,2-11H3;12H,10-11H2,1-9H3;8H,9-10H2,1-7H3;8H,9H2,1-7H3;1,8-9H2,2-7H3/b;14-13+;11-8-;;
InChIKeyGYELDEGFKRYSED-NOYUGBCESA-N
XLogP26.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.97
LogP ≤ 526.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(8R)-2,4,4,6,6,10,10,12,12,14,14-undecamethyl-8-propan-2-ylpentadec-1-ene
CID 154603547
2,2,4,6,6,8,8-heptamethylnon-4-ene
CID 57218431
2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene
CID 102601787
2,3,4,6,6,7-hexamethyloct-3-ene
CID 72602865
2,4,6,6-tetramethylhept-2-en-4-ol
CID 130892314
2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene
CID 173302117
(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene
CID 153404272
2,4,4-trimethylhepta-1,6-diene
CID 15205594
2,4,4,6,6,8,8-heptamethylundec-1-ene
CID 140893403
methane;2,5,5-trimethyl-3,7-dimethylidenenonane
CID 160593852

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C(CC(C)(C)CC(C)(C)C)=C(/C)C(C)C.C/C=C(/C)CC(C)(C)CC(C)(C)C.C=C(C)CC(C)(C)CC(C)(C)C.C=C(CC(C)(C)CC(C)(C)C)CC(C)(C)CC(C)(C)C.CC(C)=CC(C)(C)CC(C)(C)C.
What is the InChIKey of (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?
The InChIKey is GYELDEGFKRYSED-NOYUGBCESA-N. The full InChI is InChI=1S/C20H40.C16H32.C13H26.2C12H24/c1-16(12-19(8,9)14-17(2,3)4)13-20(10,11)15-18(5,6)7;1-12(2)14(4)13(3)10-16(8,9)11-15(5,6)7;1-8-11(2)9-13(6,7)10-12(3,4)5;2*1-10(2)8-12(6,7)9-11(3,4)5/h1,12-15H2,2-11H3;12H,10-11H2,1-9H3;8H,9-10H2,1-7H3;8H,9H2,1-7H3;1,8-9H2,2-7H3/b;14-13+;11-8-;;.
What are the key properties of (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?
(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 has a molecular weight of 1023.97 g/mol, XLogP of 26.71, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 164991654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).