(4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane

C21H42 — CID 144561487

IUPAC(4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane
SMILESC/C=C1/CC(C)=C(CCC)C1.CCC.CCCCCCC
InChIInChI=1S/C11H18.C7H16.C3H8/c1-4-6-11-8-10(5-2)7-9(11)3;1-3-5-7-6-4-2;1-3-2/h5H,4,6-8H2,1-3H3;3-7H2,1-2H3;3H2,1-2H3/b10-5-;;
InChIKeyMEIWAILXUOGJIH-KGEBAWAISA-N
MW294.57 g/mol
LogP8.24
Rot. Bonds6

About (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane

(4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane (PubChem CID 144561487) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane.

Molecular Properties

Compound Name(4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane
PubChem CID144561487
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name(4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane
SMILESC/C=C1/CC(C)=C(CCC)C1.CCC.CCCCCCC
InChIInChI=1S/C11H18.C7H16.C3H8/c1-4-6-11-8-10(5-2)7-9(11)3;1-3-5-7-6-4-2;1-3-2/h5H,4,6-8H2,1-3H3;3-7H2,1-2H3;3H2,1-2H3/b10-5-;;
InChIKeyMEIWAILXUOGJIH-KGEBAWAISA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane?
The IUPAC name of (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane (CID 144561487) is (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane.
What is the SMILES notation for (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane?
The canonical SMILES for (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane is C/C=C1/CC(C)=C(CCC)C1.CCC.CCCCCCC.
What is the InChIKey of (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane?
The InChIKey is MEIWAILXUOGJIH-KGEBAWAISA-N. The full InChI is InChI=1S/C11H18.C7H16.C3H8/c1-4-6-11-8-10(5-2)7-9(11)3;1-3-5-7-6-4-2;1-3-2/h5H,4,6-8H2,1-3H3;3-7H2,1-2H3;3H2,1-2H3/b10-5-;;.
What are the key properties of (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane?
(4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane has a molecular weight of 294.57 g/mol, XLogP of 8.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane is sourced from PubChem (CID 144561487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).