bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane

C23H38 — CID 143737924

IUPACbicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane
SMILESC.C.C.C1=Cc2ccccc2C1.C1CC2CC12.C1CC2CC2C1
InChIInChI=1S/C9H8.C6H10.C5H8.3CH4/c1-2-5-9-7-3-6-8(9)4-1;1-2-5-4-6(5)3-1;1-2-5-3-4(1)5;;;/h1-6H,7H2;5-6H,1-4H2;4-5H,1-3H2;3*1H4
InChIKeyBRPADFNHCICTGD-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.39
Rot. Bonds

About bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane

bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane (PubChem CID 143737924) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane
PubChem CID143737924
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Namebicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane
SMILESC.C.C.C1=Cc2ccccc2C1.C1CC2CC12.C1CC2CC2C1
InChIInChI=1S/C9H8.C6H10.C5H8.3CH4/c1-2-5-9-7-3-6-8(9)4-1;1-2-5-4-6(5)3-1;1-2-5-3-4(1)5;;;/h1-6H,7H2;5-6H,1-4H2;4-5H,1-3H2;3*1H4
InChIKeyBRPADFNHCICTGD-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane?
The IUPAC name of bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane (CID 143737924) is bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane.
What is the SMILES notation for bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane?
The canonical SMILES for bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane is C.C.C.C1=Cc2ccccc2C1.C1CC2CC12.C1CC2CC2C1.
What is the InChIKey of bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane?
The InChIKey is BRPADFNHCICTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C6H10.C5H8.3CH4/c1-2-5-9-7-3-6-8(9)4-1;1-2-5-4-6(5)3-1;1-2-5-3-4(1)5;;;/h1-6H,7H2;5-6H,1-4H2;4-5H,1-3H2;3*1H4.
What are the key properties of bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane?
bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane has a molecular weight of 314.56 g/mol, XLogP of 7.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane;bicyclo[2.1.0]pentane;1H-indene;methane is sourced from PubChem (CID 143737924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).