2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane

C18H28 — CID 152828720

IUPAC2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane
SMILESCC1CC(C2CC3C(C2)C3C2CC3C(C)CC32)C1
InChIInChI=1S/C18H28/c1-9-3-11(4-9)12-6-15-16(7-12)18(15)17-8-13-10(2)5-14(13)17/h9-18H,3-8H2,1-2H3
InChIKeySVUGESXJVNMNEI-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.60
Rot. Bonds2

About 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane

2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane (PubChem CID 152828720) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane
PubChem CID152828720
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane
SMILESCC1CC(C2CC3C(C2)C3C2CC3C(C)CC32)C1
InChIInChI=1S/C18H28/c1-9-3-11(4-9)12-6-15-16(7-12)18(15)17-8-13-10(2)5-14(13)17/h9-18H,3-8H2,1-2H3
InChIKeySVUGESXJVNMNEI-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane with MolForge

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Related Compounds

heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
CID 59938675
11-methyltetracyclo[8.2.0.02,4.06,8]dodecane
CID 123240466
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 58944334
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane;4,11-dimethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane;4,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 159041892
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
pentacyclo[6.4.0.02,7.03,11.05,10]dodecane
CID 90708847
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-(2-cyclopropylcyclopropyl)-2-(2-methylcyclopropyl)cyclopropane;1-(2-cyclopropylcyclopropyl)-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-cyclopropyl-2-(2-methylcyclopropyl)cyclopropane
CID 165057810
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane
CID 164717354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane?
The IUPAC name of 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane (CID 152828720) is 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane.
What is the SMILES notation for 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane?
The canonical SMILES for 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane is CC1CC(C2CC3C(C2)C3C2CC3C(C)CC32)C1.
What is the InChIKey of 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane?
The InChIKey is SVUGESXJVNMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-9-3-11(4-9)12-6-15-16(7-12)18(15)17-8-13-10(2)5-14(13)17/h9-18H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane?
2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane has a molecular weight of 244.42 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane is sourced from PubChem (CID 152828720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).