5-(2-methylbutan-2-yl)cyclohexa-1,3-diene

C11H18 — CID 154545542

IUPAC5-(2-methylbutan-2-yl)cyclohexa-1,3-diene
SMILESCCC(C)(C)C1C=CC=CC1
InChIInChI=1S/C11H18/c1-4-11(2,3)10-8-6-5-7-9-10/h5-8,10H,4,9H2,1-3H3
InChIKeyNSAGCTSYOAJCSH-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds2

About 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene

5-(2-methylbutan-2-yl)cyclohexa-1,3-diene (PubChem CID 154545542) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)cyclohexa-1,3-diene
PubChem CID154545542
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5-(2-methylbutan-2-yl)cyclohexa-1,3-diene
SMILESCCC(C)(C)C1C=CC=CC1
InChIInChI=1S/C11H18/c1-4-11(2,3)10-8-6-5-7-9-10/h5-8,10H,4,9H2,1-3H3
InChIKeyNSAGCTSYOAJCSH-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene (CID 154545542) is 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene is CCC(C)(C)C1C=CC=CC1.
What is the InChIKey of 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene?
The InChIKey is NSAGCTSYOAJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-11(2,3)10-8-6-5-7-9-10/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene?
5-(2-methylbutan-2-yl)cyclohexa-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 154545542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).