1-methyltricyclo[2.1.0.02,5]pentane

C6H8 — CID 86129037

IUPAC1-methyltricyclo[2.1.0.02,5]pentane
SMILESCC12C3CC1C32
InChIInChI=1S/C6H8/c1-6-3-2-4(6)5(3)6/h3-5H,2H2,1H3
InChIKeyJOUZDRZIABHFNR-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.27
Rot. Bonds

About 1-methyltricyclo[2.1.0.02,5]pentane

1-methyltricyclo[2.1.0.02,5]pentane (PubChem CID 86129037) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is 1-methyltricyclo[2.1.0.02,5]pentane.

Molecular Properties

Compound Name1-methyltricyclo[2.1.0.02,5]pentane
PubChem CID86129037
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name1-methyltricyclo[2.1.0.02,5]pentane
SMILESCC12C3CC1C32
InChIInChI=1S/C6H8/c1-6-3-2-4(6)5(3)6/h3-5H,2H2,1H3
InChIKeyJOUZDRZIABHFNR-UHFFFAOYSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938
1',7'-dimethylspiro[cyclopropane-1,3'-tricyclo[4.1.0.02,4]heptane]
CID 163551381
2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane
CID 147978015
1,2,3,6-tetramethylbicyclo[2.2.0]hexane
CID 123570801
1,2,3,9,10-pentamethyltetracyclo[4.4.0.02,5.07,10]decane
CID 123696260
9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane
CID 123294037
7,8,9,10-tetramethyldodecacyclo[10.8.0.01,4.02,9.02,11.03,6.03,8.04,19.05,18.013,20.015,20.016,19]icosane
CID 20740891
2,5-dimethyltetracyclo[4.3.0.01,8.02,9]nonane
CID 123838216
(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
CID 98459467
(1R,2R,7R,8S,9S,10R)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
CID 138394874
4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane
CID 12536814
1-methylcubane
CID 13245707

Frequently Asked Questions

What is the IUPAC name of 1-methyltricyclo[2.1.0.02,5]pentane?
The IUPAC name of 1-methyltricyclo[2.1.0.02,5]pentane (CID 86129037) is 1-methyltricyclo[2.1.0.02,5]pentane.
What is the SMILES notation for 1-methyltricyclo[2.1.0.02,5]pentane?
The canonical SMILES for 1-methyltricyclo[2.1.0.02,5]pentane is CC12C3CC1C32.
What is the InChIKey of 1-methyltricyclo[2.1.0.02,5]pentane?
The InChIKey is JOUZDRZIABHFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-6-3-2-4(6)5(3)6/h3-5H,2H2,1H3.
What are the key properties of 1-methyltricyclo[2.1.0.02,5]pentane?
1-methyltricyclo[2.1.0.02,5]pentane has a molecular weight of 80.13 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltricyclo[2.1.0.02,5]pentane is sourced from PubChem (CID 86129037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).