3-methylcycloundecene

C12H22 — CID 54531806

IUPAC3-methylcycloundecene
SMILESCC1C=CCCCCCCCC1
InChIInChI=1S/C12H22/c1-12-10-8-6-4-2-3-5-7-9-11-12/h8,10,12H,2-7,9,11H2,1H3
InChIKeyRGIZEEAGVWXJFX-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds

About 3-methylcycloundecene

3-methylcycloundecene (PubChem CID 54531806) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-methylcycloundecene.

Molecular Properties

Compound Name3-methylcycloundecene
PubChem CID54531806
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-methylcycloundecene
SMILESCC1C=CCCCCCCCC1
InChIInChI=1S/C12H22/c1-12-10-8-6-4-2-3-5-7-9-11-12/h8,10,12H,2-7,9,11H2,1H3
InChIKeyRGIZEEAGVWXJFX-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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 3-methylcycloundecene?
The IUPAC name of 3-methylcycloundecene (CID 54531806) is 3-methylcycloundecene.
What is the SMILES notation for 3-methylcycloundecene?
The canonical SMILES for 3-methylcycloundecene is CC1C=CCCCCCCCC1.
What is the InChIKey of 3-methylcycloundecene?
The InChIKey is RGIZEEAGVWXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-12-10-8-6-4-2-3-5-7-9-11-12/h8,10,12H,2-7,9,11H2,1H3.
What are the key properties of 3-methylcycloundecene?
3-methylcycloundecene has a molecular weight of 166.31 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcycloundecene is sourced from PubChem (CID 54531806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).