5-methyltricyclo[2.1.1.01,4]hexane

C7H10 — CID 123283091

IUPAC5-methyltricyclo[2.1.1.01,4]hexane
SMILESCC1C23CCC12C3
InChIInChI=1S/C7H10/c1-5-6-2-3-7(5,6)4-6/h5H,2-4H2,1H3
InChIKeyIMMMRAHYNXMHCK-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.81
Rot. Bonds

About 5-methyltricyclo[2.1.1.01,4]hexane

5-methyltricyclo[2.1.1.01,4]hexane (PubChem CID 123283091) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 5-methyltricyclo[2.1.1.01,4]hexane.

Molecular Properties

Compound Name5-methyltricyclo[2.1.1.01,4]hexane
PubChem CID123283091
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name5-methyltricyclo[2.1.1.01,4]hexane
SMILESCC1C23CCC12C3
InChIInChI=1S/C7H10/c1-5-6-2-3-7(5,6)4-6/h5H,2-4H2,1H3
InChIKeyIMMMRAHYNXMHCK-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyltricyclo[3.1.0.02,6]hexane
CID 13568254
Tetracyclo[3.2.0.01,6.02,6]heptane
CID 13509488
Tricyclo[2.1.1.01,4]hexane
CID 14718042
Tetracyclo[3.1.0.01,4.02,4]hexane
CID 22957582
1,4-Dimethyltricyclo[3.1.0.02,4]hexane
CID 123620036
7,7-Dimethyltetracyclo[3.2.0.01,6.02,6]heptane
CID 85727943
CID 134906321
CID 134906321
2-Ethyltricyclo[2.1.0.01,3]pentane
CID 20621573
2-Methyltricyclo[2.1.0.01,3]pentane
CID 21135840
Pentacyclo[3.2.0.01,6.02,4.02,5]heptane
CID 22959228
Tetracyclo[2.2.1.01,3.02,4]heptane
CID 59928406
Tetracyclo[2.2.0.01,3.02,6]hexane
CID 85607141

Frequently Asked Questions

What is the IUPAC name of 5-methyltricyclo[2.1.1.01,4]hexane?
The IUPAC name of 5-methyltricyclo[2.1.1.01,4]hexane (CID 123283091) is 5-methyltricyclo[2.1.1.01,4]hexane.
What is the SMILES notation for 5-methyltricyclo[2.1.1.01,4]hexane?
The canonical SMILES for 5-methyltricyclo[2.1.1.01,4]hexane is CC1C23CCC12C3.
What is the InChIKey of 5-methyltricyclo[2.1.1.01,4]hexane?
The InChIKey is IMMMRAHYNXMHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-5-6-2-3-7(5,6)4-6/h5H,2-4H2,1H3.
What are the key properties of 5-methyltricyclo[2.1.1.01,4]hexane?
5-methyltricyclo[2.1.1.01,4]hexane has a molecular weight of 94.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltricyclo[2.1.1.01,4]hexane is sourced from PubChem (CID 123283091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).