2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane

C14H22 — CID 158280740

IUPAC2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane
SMILESCC1C=C(C2C(C)C3CCC32)C(C)C1
InChIInChI=1S/C14H22/c1-8-6-9(2)13(7-8)14-10(3)11-4-5-12(11)14/h7-12,14H,4-6H2,1-3H3
InChIKeyGKEGSNZIIIIJHY-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.88
Rot. Bonds1

About 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane

2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane (PubChem CID 158280740) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane
PubChem CID158280740
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane
SMILESCC1C=C(C2C(C)C3CCC32)C(C)C1
InChIInChI=1S/C14H22/c1-8-6-9(2)13(7-8)14-10(3)11-4-5-12(11)14/h7-12,14H,4-6H2,1-3H3
InChIKeyGKEGSNZIIIIJHY-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.88
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

(1S,3R,7S,8S,8aR)-8-ethyl-3,5,7-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 71133315
azane;5-methylbicyclo[2.1.0]pentane
CID 68525999
11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene
CID 123553439
6-methyltricyclo[3.3.0.02,8]oct-4-ene
CID 163855748
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408
(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
CID 149455219
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
5-ethynylperoxy-3,4,7-trimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 54376318
2,7-dimethylbicyclo[4.1.0]hept-2-ene
CID 13427831
(2R)-4-methyltricyclo[5.2.1.02,6]deca-1(9),5-diene
CID 163995115
(4R,7R,9S,11S)-9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
CID 163038649
9-methyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
CID 85125809

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane?
The IUPAC name of 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane (CID 158280740) is 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane.
What is the SMILES notation for 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane?
The canonical SMILES for 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane is CC1C=C(C2C(C)C3CCC32)C(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane?
The InChIKey is GKEGSNZIIIIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-8-6-9(2)13(7-8)14-10(3)11-4-5-12(11)14/h7-12,14H,4-6H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane?
2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane has a molecular weight of 190.33 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane is sourced from PubChem (CID 158280740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).