1,2-di(propan-2-yl)cyclohexa-1,3-diene

C12H20 — CID 22218399

IUPAC1,2-di(propan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)C1=C(C(C)C)CCC=C1
InChIInChI=1S/C12H20/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5,7,9-10H,6,8H2,1-4H3
InChIKeyIXEMPSCCBLSHMN-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds2

About 1,2-di(propan-2-yl)cyclohexa-1,3-diene

1,2-di(propan-2-yl)cyclohexa-1,3-diene (PubChem CID 22218399) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-di(propan-2-yl)cyclohexa-1,3-diene
PubChem CID22218399
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,2-di(propan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)C1=C(C(C)C)CCC=C1
InChIInChI=1S/C12H20/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5,7,9-10H,6,8H2,1-4H3
InChIKeyIXEMPSCCBLSHMN-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 1,2-di(propan-2-yl)cyclohexa-1,3-diene (CID 22218399) is 1,2-di(propan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2-di(propan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2-di(propan-2-yl)cyclohexa-1,3-diene is CC(C)C1=C(C(C)C)CCC=C1.
What is the InChIKey of 1,2-di(propan-2-yl)cyclohexa-1,3-diene?
The InChIKey is IXEMPSCCBLSHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)cyclohexa-1,3-diene?
1,2-di(propan-2-yl)cyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 22218399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).