(3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene

C9H12 — CID 147143618

IUPAC(3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene
SMILESCC[C@H]1C2CC3=C(C3)C21
InChIInChI=1S/C9H12/c1-2-6-8-4-5-3-7(5)9(6)8/h6,8-9H,2-4H2,1H3/t6-,8?,9?/m0/s1
InChIKeyBSPLDJLTYAOFIV-GVWIPJJGSA-N
MW120.19 g/mol
LogP2.36
Rot. Bonds1

About (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene

(3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene (PubChem CID 147143618) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene.

Molecular Properties

Compound Name(3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene
PubChem CID147143618
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene
SMILESCC[C@H]1C2CC3=C(C3)C21
InChIInChI=1S/C9H12/c1-2-6-8-4-5-3-7(5)9(6)8/h6,8-9H,2-4H2,1H3/t6-,8?,9?/m0/s1
InChIKeyBSPLDJLTYAOFIV-GVWIPJJGSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.36
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

1-Cyclopropylideneethylcyclohexane
CID 85677904
Tricyclo[4.1.0.02,7]hept-1-ene
CID 91435442
(5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
CID 18640208
(5aS)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
CID 18640211
3-Methyl-2-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 20259158
3-Methyl-2-propan-2-ylbicyclo[3.1.0]hex-1-ene
CID 57043752
5-Methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene
CID 59741526
1-Methyl-2-(2-methylcyclopropyl)cyclopropene
CID 91241144
5-Methyl-2-propan-2-ylbicyclo[2.1.0]pent-1-ene
CID 91326642
4-Methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene
CID 123187415
1,3-Dimethyl-2-(2-methylcyclopropyl)cyclopropene
CID 123380843
Tricyclo[4.1.0.02,4]hept-1(6)-ene
CID 123390029

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene?
The IUPAC name of (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene (CID 147143618) is (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene.
What is the SMILES notation for (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene?
The canonical SMILES for (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene is CC[C@H]1C2CC3=C(C3)C21.
What is the InChIKey of (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene?
The InChIKey is BSPLDJLTYAOFIV-GVWIPJJGSA-N. The full InChI is InChI=1S/C9H12/c1-2-6-8-4-5-3-7(5)9(6)8/h6,8-9H,2-4H2,1H3/t6-,8?,9?/m0/s1.
What are the key properties of (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene?
(3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene has a molecular weight of 120.19 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene is sourced from PubChem (CID 147143618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).