1-ethylidene-5-methylcyclooctane

C11H20 — CID 20872963

IUPAC1-ethylidene-5-methylcyclooctane
SMILESCC=C1CCCC(C)CCC1
InChIInChI=1S/C11H20/c1-3-11-8-4-6-10(2)7-5-9-11/h3,10H,4-9H2,1-2H3/b11-3-
InChIKeySAGVKUCITGRHLC-JYOAFUTRSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds

About 1-ethylidene-5-methylcyclooctane

1-ethylidene-5-methylcyclooctane (PubChem CID 20872963) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethylidene-5-methylcyclooctane.

Molecular Properties

Compound Name1-ethylidene-5-methylcyclooctane
PubChem CID20872963
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethylidene-5-methylcyclooctane
SMILESCC=C1CCCC(C)CCC1
InChIInChI=1S/C11H20/c1-3-11-8-4-6-10(2)7-5-9-11/h3,10H,4-9H2,1-2H3/b11-3-
InChIKeySAGVKUCITGRHLC-JYOAFUTRSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
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 1-ethylidene-5-methylcyclooctane?
The IUPAC name of 1-ethylidene-5-methylcyclooctane (CID 20872963) is 1-ethylidene-5-methylcyclooctane.
What is the SMILES notation for 1-ethylidene-5-methylcyclooctane?
The canonical SMILES for 1-ethylidene-5-methylcyclooctane is CC=C1CCCC(C)CCC1.
What is the InChIKey of 1-ethylidene-5-methylcyclooctane?
The InChIKey is SAGVKUCITGRHLC-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H20/c1-3-11-8-4-6-10(2)7-5-9-11/h3,10H,4-9H2,1-2H3/b11-3-.
What are the key properties of 1-ethylidene-5-methylcyclooctane?
1-ethylidene-5-methylcyclooctane has a molecular weight of 152.28 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-5-methylcyclooctane is sourced from PubChem (CID 20872963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).