2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene

C9H10 — CID 69105545

IUPAC2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene
SMILESCC(C)c1ccc2cc1-2
InChIInChI=1S/C9H10/c1-6(2)8-4-3-7-5-9(7)8/h3-6H,1-2H3
InChIKeyNVDJACHPFRPGOI-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.79
Rot. Bonds1

About 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene

2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 69105545) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID69105545
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene
SMILESCC(C)c1ccc2cc1-2
InChIInChI=1S/C9H10/c1-6(2)8-4-3-7-5-9(7)8/h3-6H,1-2H3
InChIKeyNVDJACHPFRPGOI-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
CID 23166060
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
2-(5-chloro-2-propan-2-ylphenyl)naphthalene
CID 142314685
4-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117444749
4-(5-methoxy-2-propan-2-ylphenyl)-2-methylphenol
CID 167587585
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
4-[2,5-di(propan-2-yl)phenyl]-2-prop-1-enylphenol
CID 67926736
4-(2-propan-2-ylphenyl)-2-(4-propan-2-ylphenyl)phenol
CID 101384049
2-methyl-4-(2-propan-2-ylphenyl)phenol
CID 22438316
3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117491617
[2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite
CID 141189598

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene (CID 69105545) is 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene is CC(C)c1ccc2cc1-2.
What is the InChIKey of 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is NVDJACHPFRPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-6(2)8-4-3-7-5-9(7)8/h3-6H,1-2H3.
What are the key properties of 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene?
2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 118.18 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 69105545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).