1,3,3,5-tetramethylbicyclo[3.1.0]hexane

C10H18 — CID 174953596

IUPAC1,3,3,5-tetramethylbicyclo[3.1.0]hexane
SMILESCC1(C)CC2(C)CC2(C)C1
InChIInChI=1S/C10H18/c1-8(2)5-9(3)7-10(9,4)6-8/h5-7H2,1-4H3
InChIKeyHZMLGDRHLUPTCH-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

About 1,3,3,5-tetramethylbicyclo[3.1.0]hexane

1,3,3,5-tetramethylbicyclo[3.1.0]hexane (PubChem CID 174953596) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,3,3,5-tetramethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,3,3,5-tetramethylbicyclo[3.1.0]hexane
PubChem CID174953596
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,3,3,5-tetramethylbicyclo[3.1.0]hexane
SMILESCC1(C)CC2(C)CC2(C)C1
InChIInChI=1S/C10H18/c1-8(2)5-9(3)7-10(9,4)6-8/h5-7H2,1-4H3
InChIKeyHZMLGDRHLUPTCH-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,5-tetramethylbicyclo[3.1.0]hexane?
The IUPAC name of 1,3,3,5-tetramethylbicyclo[3.1.0]hexane (CID 174953596) is 1,3,3,5-tetramethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 1,3,3,5-tetramethylbicyclo[3.1.0]hexane?
The canonical SMILES for 1,3,3,5-tetramethylbicyclo[3.1.0]hexane is CC1(C)CC2(C)CC2(C)C1.
What is the InChIKey of 1,3,3,5-tetramethylbicyclo[3.1.0]hexane?
The InChIKey is HZMLGDRHLUPTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)5-9(3)7-10(9,4)6-8/h5-7H2,1-4H3.
What are the key properties of 1,3,3,5-tetramethylbicyclo[3.1.0]hexane?
1,3,3,5-tetramethylbicyclo[3.1.0]hexane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5-tetramethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 174953596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).