7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene

C12H18 — CID 163905426

IUPAC7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene
SMILESCCC1CCCC2=C(C3CC3)C21
InChIInChI=1S/C12H18/c1-2-8-4-3-5-10-11(8)12(10)9-6-7-9/h8-9,11H,2-7H2,1H3
InChIKeyQNMDPUBYGWJRED-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.53
Rot. Bonds2

About 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene

7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene (PubChem CID 163905426) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene.

Molecular Properties

Compound Name7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene
PubChem CID163905426
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene
SMILESCCC1CCCC2=C(C3CC3)C21
InChIInChI=1S/C12H18/c1-2-8-4-3-5-10-11(8)12(10)9-6-7-9/h8-9,11H,2-7H2,1H3
InChIKeyQNMDPUBYGWJRED-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.53
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

trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane
CID 162882634
4-Methyl-3-carene
CID 14029516
syn-Tricyclo[5.1.0.0(2,4)]oct-5-ene, 3,3,5,6,8,8-hexamethyl-
CID 600264
1-tert-Butyl-4-cyclopropylidenecyclohexane
CID 13280445
1-Cyclopropylideneethylcyclohexane
CID 85677904
CID 134894136
CID 134894136
Tricyclo[3.2.2.02,4]nonene
CID 153092329
7,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 13418778
2,3,6-Trimethylbicyclo[4.1.0]hept-2-ene
CID 15652280
(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
2,3,5-Trimethylbicyclo[4.1.0]hept-3-ene
CID 18728500

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene?
The IUPAC name of 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene (CID 163905426) is 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene.
What is the SMILES notation for 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene?
The canonical SMILES for 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene is CCC1CCCC2=C(C3CC3)C21.
What is the InChIKey of 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene?
The InChIKey is QNMDPUBYGWJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-8-4-3-5-10-11(8)12(10)9-6-7-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene?
7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene has a molecular weight of 162.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene is sourced from PubChem (CID 163905426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).