methane;3-methylbicyclo[3.1.0]hexane

C8H16 — CID 143309580

IUPACmethane;3-methylbicyclo[3.1.0]hexane
SMILESC.CC1CC2CC2C1
InChIInChI=1S/C7H12.CH4/c1-5-2-6-4-7(6)3-5;/h5-7H,2-4H2,1H3;1H4
InChIKeyLLJCRJGFLFTZGC-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.69
Rot. Bonds

About methane;3-methylbicyclo[3.1.0]hexane

methane;3-methylbicyclo[3.1.0]hexane (PubChem CID 143309580) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is methane;3-methylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Namemethane;3-methylbicyclo[3.1.0]hexane
PubChem CID143309580
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namemethane;3-methylbicyclo[3.1.0]hexane
SMILESC.CC1CC2CC2C1
InChIInChI=1S/C7H12.CH4/c1-5-2-6-4-7(6)3-5;/h5-7H,2-4H2,1H3;1H4
InChIKeyLLJCRJGFLFTZGC-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
acetylene;(1S,5R)-3,6-dimethylbicyclo[3.1.1]heptane;ethane
CID 143170013
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
methane;1,2,4-trimethylcyclopentane
CID 157268000
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030
(3aR,7aS)-2,4,5-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91357459
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane
CID 152828720
(2R)-5-chloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
CID 172615198
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064

Frequently Asked Questions

What is the IUPAC name of methane;3-methylbicyclo[3.1.0]hexane?
The IUPAC name of methane;3-methylbicyclo[3.1.0]hexane (CID 143309580) is methane;3-methylbicyclo[3.1.0]hexane.
What is the SMILES notation for methane;3-methylbicyclo[3.1.0]hexane?
The canonical SMILES for methane;3-methylbicyclo[3.1.0]hexane is C.CC1CC2CC2C1.
What is the InChIKey of methane;3-methylbicyclo[3.1.0]hexane?
The InChIKey is LLJCRJGFLFTZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.CH4/c1-5-2-6-4-7(6)3-5;/h5-7H,2-4H2,1H3;1H4.
What are the key properties of methane;3-methylbicyclo[3.1.0]hexane?
methane;3-methylbicyclo[3.1.0]hexane has a molecular weight of 112.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylbicyclo[3.1.0]hexane is sourced from PubChem (CID 143309580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).