6-methylbicyclo[3.1.1]hept-1(6)-ene

C8H12 — CID 143372667

IUPAC6-methylbicyclo[3.1.1]hept-1(6)-ene
SMILESCC1=C2CCCC1C2
InChIInChI=1S/C8H12/c1-6-7-3-2-4-8(6)5-7/h7H,2-5H2,1H3
InChIKeyNBTRVBMSBURDJN-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.51
Rot. Bonds

About 6-methylbicyclo[3.1.1]hept-1(6)-ene

6-methylbicyclo[3.1.1]hept-1(6)-ene (PubChem CID 143372667) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 6-methylbicyclo[3.1.1]hept-1(6)-ene.

Molecular Properties

Compound Name6-methylbicyclo[3.1.1]hept-1(6)-ene
PubChem CID143372667
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name6-methylbicyclo[3.1.1]hept-1(6)-ene
SMILESCC1=C2CCCC1C2
InChIInChI=1S/C8H12/c1-6-7-3-2-4-8(6)5-7/h7H,2-5H2,1H3
InChIKeyNBTRVBMSBURDJN-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 12753766
4-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-amine
CID 89073896
7-methylbicyclo[3.2.1]oct-1(7)-ene
CID 148582916
5,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
CID 140627112
ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene
CID 142063012
2-methylbicyclo[8.5.1]hexadec-1-ene
CID 123408144
1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 89175619
3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene
CID 138582724
13-tert-butyl-13-ethyltricyclo[7.3.1.02,7]tridec-2(7)-ene
CID 153453271
1-cyclopropylidene-2-methylcyclopentane
CID 154517244
1-cyclopentylidene-2-hydroperoxycyclopentane
CID 14592797
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998

Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[3.1.1]hept-1(6)-ene?
The IUPAC name of 6-methylbicyclo[3.1.1]hept-1(6)-ene (CID 143372667) is 6-methylbicyclo[3.1.1]hept-1(6)-ene.
What is the SMILES notation for 6-methylbicyclo[3.1.1]hept-1(6)-ene?
The canonical SMILES for 6-methylbicyclo[3.1.1]hept-1(6)-ene is CC1=C2CCCC1C2.
What is the InChIKey of 6-methylbicyclo[3.1.1]hept-1(6)-ene?
The InChIKey is NBTRVBMSBURDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-7-3-2-4-8(6)5-7/h7H,2-5H2,1H3.
What are the key properties of 6-methylbicyclo[3.1.1]hept-1(6)-ene?
6-methylbicyclo[3.1.1]hept-1(6)-ene has a molecular weight of 108.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[3.1.1]hept-1(6)-ene is sourced from PubChem (CID 143372667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).