(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane

C8H12 — CID 134852734

IUPAC(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
SMILESC=C1C[C@H](C)[C@@H]2C[C@H]12
InChIInChI=1S/C8H12/c1-5-3-6(2)8-4-7(5)8/h6-8H,1,3-4H2,2H3/t6-,7+,8-/m0/s1
InChIKeyIKKKFPUYCIYJIN-RNJXMRFFSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds

About (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane

(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane (PubChem CID 134852734) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
PubChem CID134852734
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
SMILESC=C1C[C@H](C)[C@@H]2C[C@H]12
InChIInChI=1S/C8H12/c1-5-3-6(2)8-4-7(5)8/h6-8H,1,3-4H2,2H3/t6-,7+,8-/m0/s1
InChIKeyIKKKFPUYCIYJIN-RNJXMRFFSA-N
XLogP2.22
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 ≤ 52.22
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

(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
CID 42648527
2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol
CID 174938123
(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane
CID 13462522
6-cyclopropyl-2-methylidenebicyclo[3.2.0]heptane
CID 163850995
4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 100957909
(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 102076041
cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol
CID 134964075
2,4-dichloro-1,3-dimethyl-5-methylidenecyclohexane
CID 91153934
2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane
CID 91509507
(3R,3aS,5S,8aR)-3-methyl-8-methylidene-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 102156162
1,4-dimethyl-2-methylidenecyclopentane;ethane
CID 144973768
(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 10877110

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane?
The IUPAC name of (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane (CID 134852734) is (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane is C=C1C[C@H](C)[C@@H]2C[C@H]12.
What is the InChIKey of (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane?
The InChIKey is IKKKFPUYCIYJIN-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H12/c1-5-3-6(2)8-4-7(5)8/h6-8H,1,3-4H2,2H3/t6-,7+,8-/m0/s1.
What are the key properties of (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane?
(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane has a molecular weight of 108.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane is sourced from PubChem (CID 134852734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).