ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane

C25H50 — CID 143682395

IUPACethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane
SMILESCC.CC(C)CC1(C)CC1C1CCC1.CCC(CC)C/C=C/C(C)C
InChIInChI=1S/C12H22.C11H22.C2H6/c1-9(2)7-12(3)8-11(12)10-5-4-6-10;1-5-11(6-2)9-7-8-10(3)4;1-2/h9-11H,4-8H2,1-3H3;7-8,10-11H,5-6,9H2,1-4H3;1-2H3/b;8-7+;
InChIKeyLZULQHWIERWMOG-BVUSFOFSSA-N
MW350.68 g/mol
LogP8.91
Rot. Bonds8

About ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane

ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane (PubChem CID 143682395) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane.

Molecular Properties

Compound Nameethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane
PubChem CID143682395
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Nameethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane
SMILESCC.CC(C)CC1(C)CC1C1CCC1.CCC(CC)C/C=C/C(C)C
InChIInChI=1S/C12H22.C11H22.C2H6/c1-9(2)7-12(3)8-11(12)10-5-4-6-10;1-5-11(6-2)9-7-8-10(3)4;1-2/h9-11H,4-8H2,1-3H3;7-8,10-11H,5-6,9H2,1-4H3;1-2H3/b;8-7+;
InChIKeyLZULQHWIERWMOG-BVUSFOFSSA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane?
The IUPAC name of ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane (CID 143682395) is ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane.
What is the SMILES notation for ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane?
The canonical SMILES for ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane is CC.CC(C)CC1(C)CC1C1CCC1.CCC(CC)C/C=C/C(C)C.
What is the InChIKey of ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane?
The InChIKey is LZULQHWIERWMOG-BVUSFOFSSA-N. The full InChI is InChI=1S/C12H22.C11H22.C2H6/c1-9(2)7-12(3)8-11(12)10-5-4-6-10;1-5-11(6-2)9-7-8-10(3)4;1-2/h9-11H,4-8H2,1-3H3;7-8,10-11H,5-6,9H2,1-4H3;1-2H3/b;8-7+;.
What are the key properties of ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane?
ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane has a molecular weight of 350.68 g/mol, XLogP of 8.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-6-ethyl-2-methyloct-3-ene;[2-methyl-2-(2-methylpropyl)cyclopropyl]cyclobutane is sourced from PubChem (CID 143682395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).