2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane

C203H430 — CID 160840454

About 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane

2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane (PubChem CID 160840454) has the molecular formula C203H430 and a molecular weight of 2871.67 g/mol. Its IUPAC name is 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane.

Molecular Properties

• Compound Name: 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane
• PubChem CID: 160840454
• Molecular Formula: C203H430
• Molecular Weight: 2871.67 g/mol
• Exact Mass: 2869.36
• IUPAC Name: 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane
• SMILES: C.CC1CCCC1.CC1CCCCCCC1.CCC1CC1.CCCC/C=C/CCCCCCCCCC.CCCC1CCCCC1.CCCCC(C)CC(C)C.CCCCC(C)CCC.CCCCCCC(C)(C)C.CCCCCCCC.CCCCCCCC/C=C/CCCCCCCCC.CCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C19H40.C19H38.C17H36.C16H32.C15H32.C14H30.C13H28.C12H26.C11H24.2C10H22.2C9H18.C9H20.C8H18.C6H12.C5H10.CH4/c2*1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-5-6-7-10(4)8-9(2)3;1-5-6-7-8-9-10(2,3)4;1-9-7-5-3-2-4-6-8-9;1-2-6-9-7-4-3-5-8-9;1-4-6-8-9(3)7-5-2;1-3-5-7-8-6-4-2;1-6-4-2-3-5-6;1-2-5-3-4-5;/h3-19H2,1-2H3;17,19H,3-16,18H2,1-2H3;3-17H2,1-2H3;9,11H,3-8,10,12-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;3-11H2,1-2H3;9-10H,5-8H2,1-4H3;5-9H2,1-4H3;2*9H,2-8H2,1H3;9H,4-8H2,1-3H3;3-8H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3;1H4/b;19-17+;;11-9+
• InChIKey: SHYPGQYMSFAJDA-KSFRRWBXSA-N
• XLogP: 81.03
• TPSA: 0.00 Ų
• Rotatable Bonds: 129
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2871.67
LogP ≤ 5	81.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane?

The IUPAC name of 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane (CID 160840454) is 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane.

What is the SMILES notation for 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane?

The canonical SMILES for 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane is C.CC1CCCC1.CC1CCCCCCC1.CCC1CC1.CCCC/C=C/CCCCCCCCCC.CCCC1CCCCC1.CCCCC(C)CC(C)C.CCCCC(C)CCC.CCCCCCC(C)(C)C.CCCCCCCC.CCCCCCCC/C=C/CCCCCCCCC.CCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCC.

What is the InChIKey of 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane?

The InChIKey is SHYPGQYMSFAJDA-KSFRRWBXSA-N. The full InChI is InChI=1S/C19H40.C19H38.C17H36.C16H32.C15H32.C14H30.C13H28.C12H26.C11H24.2C10H22.2C9H18.C9H20.C8H18.C6H12.C5H10.CH4/c2*1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-5-6-7-10(4)8-9(2)3;1-5-6-7-8-9-10(2,3)4;1-9-7-5-3-2-4-6-8-9;1-2-6-9-7-4-3-5-8-9;1-4-6-8-9(3)7-5-2;1-3-5-7-8-6-4-2;1-6-4-2-3-5-6;1-2-5-3-4-5;/h3-19H2,1-2H3;17,19H,3-16,18H2,1-2H3;3-17H2,1-2H3;9,11H,3-8,10,12-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;3-11H2,1-2H3;9-10H,5-8H2,1-4H3;5-9H2,1-4H3;2*9H,2-8H2,1H3;9H,4-8H2,1-3H3;3-8H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3;1H4/b;19-17+;;11-9+;;;;;;;;;;;;;;.

What are the key properties of 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane?

2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane has a molecular weight of 2871.67 g/mol, XLogP of 81.03, 129 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyloctane;2,4-dimethyloctane;dodecane;ethylcyclopropane;heptadecane;(E)-hexadec-5-ene;methane;methylcyclooctane;methylcyclopentane;4-methyloctane;nonadecane;(E)-nonadec-9-ene;octane;pentadecane;propylcyclohexane;tetradecane;tridecane;undecane is sourced from PubChem (CID 160840454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).