11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene

C20H38 — CID 123568593

IUPAC11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene
SMILESCC1CC=CCCC(C(C)(C)C(C)C)CCCCCC1
InChIInChI=1S/C20H38/c1-17(2)20(4,5)19-15-11-7-6-9-13-18(3)14-10-8-12-16-19/h8,10,17-19H,6-7,9,11-16H2,1-5H3
InChIKeyMUBYPYCBYNBUJX-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.00
Rot. Bonds2

About 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene

11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene (PubChem CID 123568593) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene.

Molecular Properties

Compound Name11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene
PubChem CID123568593
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene
SMILESCC1CC=CCCC(C(C)(C)C(C)C)CCCCCC1
InChIInChI=1S/C20H38/c1-17(2)20(4,5)19-15-11-7-6-9-13-18(3)14-10-8-12-16-19/h8,10,17-19H,6-7,9,11-16H2,1-5H3
InChIKeyMUBYPYCBYNBUJX-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.00
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 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene?
The IUPAC name of 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene (CID 123568593) is 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene.
What is the SMILES notation for 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene?
The canonical SMILES for 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene is CC1CC=CCCC(C(C)(C)C(C)C)CCCCCC1.
What is the InChIKey of 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene?
The InChIKey is MUBYPYCBYNBUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-17(2)20(4,5)19-15-11-7-6-9-13-18(3)14-10-8-12-16-19/h8,10,17-19H,6-7,9,11-16H2,1-5H3.
What are the key properties of 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene?
11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene has a molecular weight of 278.52 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene is sourced from PubChem (CID 123568593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).