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

C11H18 — CID 143730073

IUPAC2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)C(C)C1=CCCC=C1
InChIInChI=1S/C11H18/c1-9(2)10(3)11-7-5-4-6-8-11/h5,7-10H,4,6H2,1-3H3
InChIKeyPPTWWUBCFWKNIC-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds2

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

2-(3-methylbutan-2-yl)cyclohexa-1,3-diene (PubChem CID 143730073) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
PubChem CID143730073
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)C(C)C1=CCCC=C1
InChIInChI=1S/C11H18/c1-9(2)10(3)11-7-5-4-6-8-11/h5,7-10H,4,6H2,1-3H3
InChIKeyPPTWWUBCFWKNIC-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 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene (CID 143730073) is 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene is CC(C)C(C)C1=CCCC=C1.
What is the InChIKey of 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene?
The InChIKey is PPTWWUBCFWKNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9(2)10(3)11-7-5-4-6-8-11/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene?
2-(3-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 2-(3-methylbutan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 143730073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).