1-ethyl-4-prop-1-en-2-ylcyclohexene

C11H17+ — CID 91292506

IUPAC1-ethyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C+]1CC=C(CC)CC1
InChIInChI=1S/C11H17/c1-4-10-5-7-11(8-6-10)9(2)3/h5H,2,4,6-8H2,1,3H3/q+1
InChIKeyXZCYZDBTNBAAAP-UHFFFAOYSA-N
MW149.26 g/mol
LogP3.66
Rot. Bonds2

About 1-ethyl-4-prop-1-en-2-ylcyclohexene

1-ethyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 91292506) has the molecular formula C11H17+ and a molecular weight of 149.26 g/mol. Its IUPAC name is 1-ethyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name1-ethyl-4-prop-1-en-2-ylcyclohexene
PubChem CID91292506
Molecular FormulaC11H17+
Molecular Weight149.26 g/mol
Exact Mass149.13
IUPAC Name1-ethyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C+]1CC=C(CC)CC1
InChIInChI=1S/C11H17/c1-4-10-5-7-11(8-6-10)9(2)3/h5H,2,4,6-8H2,1,3H3/q+1
InChIKeyXZCYZDBTNBAAAP-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
CID 143168816
4-ethylcyclohept-4-en-1-ol
CID 91248239
ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 144868102
3-ethenyl-1-ethylcyclopenta-1,3-diene
CID 18798361
5-ethyl-1-methyl-2,3,4,7-tetrahydroazepine
CID 123370183
4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 145324638
1,4,4-triethylcyclohexene
CID 143568110
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
(4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone
CID 138722431
1-ethyl-2-(2-methylprop-2-enyl)cyclobutene
CID 143714583
1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
CID 57313548

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 1-ethyl-4-prop-1-en-2-ylcyclohexene (CID 91292506) is 1-ethyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 1-ethyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 1-ethyl-4-prop-1-en-2-ylcyclohexene is C=C(C)[C+]1CC=C(CC)CC1.
What is the InChIKey of 1-ethyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is XZCYZDBTNBAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17/c1-4-10-5-7-11(8-6-10)9(2)3/h5H,2,4,6-8H2,1,3H3/q+1.
What are the key properties of 1-ethyl-4-prop-1-en-2-ylcyclohexene?
1-ethyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 149.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 91292506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).