1-methyl-2-methylidenecyclooctane

C10H18 — CID 57051405

IUPAC1-methyl-2-methylidenecyclooctane
SMILESC=C1CCCCCCC1C
InChIInChI=1S/C10H18/c1-9-7-5-3-4-6-8-10(9)2/h10H,1,3-8H2,2H3
InChIKeyYUTRSOQMLKMUKX-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds

About 1-methyl-2-methylidenecyclooctane

1-methyl-2-methylidenecyclooctane (PubChem CID 57051405) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-methyl-2-methylidenecyclooctane.

Molecular Properties

Compound Name1-methyl-2-methylidenecyclooctane
PubChem CID57051405
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-methyl-2-methylidenecyclooctane
SMILESC=C1CCCCCCC1C
InChIInChI=1S/C10H18/c1-9-7-5-3-4-6-8-10(9)2/h10H,1,3-8H2,2H3
InChIKeyYUTRSOQMLKMUKX-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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-methyl-2-methylidenecyclooctane?
The IUPAC name of 1-methyl-2-methylidenecyclooctane (CID 57051405) is 1-methyl-2-methylidenecyclooctane.
What is the SMILES notation for 1-methyl-2-methylidenecyclooctane?
The canonical SMILES for 1-methyl-2-methylidenecyclooctane is C=C1CCCCCCC1C.
What is the InChIKey of 1-methyl-2-methylidenecyclooctane?
The InChIKey is YUTRSOQMLKMUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9-7-5-3-4-6-8-10(9)2/h10H,1,3-8H2,2H3.
What are the key properties of 1-methyl-2-methylidenecyclooctane?
1-methyl-2-methylidenecyclooctane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidenecyclooctane is sourced from PubChem (CID 57051405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).