2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane

C12H18 — CID 152868631

IUPAC2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
SMILESC1CC(C2CC3CCC32)C2CC12
InChIInChI=1S/C12H18/c1-3-9-7(1)6-12(9)10-4-2-8-5-11(8)10/h7-12H,1-6H2
InChIKeyTUGUZGWKRJZECW-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.08
Rot. Bonds1

About 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane

2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane (PubChem CID 152868631) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
PubChem CID152868631
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
SMILESC1CC(C2CC3CCC32)C2CC12
InChIInChI=1S/C12H18/c1-3-9-7(1)6-12(9)10-4-2-8-5-11(8)10/h7-12H,1-6H2
InChIKeyTUGUZGWKRJZECW-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane with MolForge

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Related Compounds

tricyclo[3.3.0.02,7]octane
CID 13112141
pentacyclo[8.4.0.03,7.04,13.06,11]tetradecane
CID 604684
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
3-(2-bicyclo[2.2.0]hexanyl)oxolane
CID 163700457
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
tricyclo[4.4.0.02,8]decane
CID 585864
(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
CID 59892974
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
CID 163955240
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane?
The IUPAC name of 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane (CID 152868631) is 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane is C1CC(C2CC3CCC32)C2CC12.
What is the InChIKey of 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane?
The InChIKey is TUGUZGWKRJZECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-9-7(1)6-12(9)10-4-2-8-5-11(8)10/h7-12H,1-6H2.
What are the key properties of 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane?
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane has a molecular weight of 162.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 152868631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).