4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene

C18H30 — CID 20658909

IUPAC4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene
SMILESC=C(C)C1(C)CC1(C)C(C)C1CC=C(C)C1(C)C
InChIInChI=1S/C18H30/c1-12(2)17(7)11-18(17,8)14(4)15-10-9-13(3)16(15,5)6/h9,14-15H,1,10-11H2,2-8H3
InChIKeyATACDKNDYMCMNK-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.61
Rot. Bonds3

About 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene

4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene (PubChem CID 20658909) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene.

Molecular Properties

Compound Name4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene
PubChem CID20658909
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene
SMILESC=C(C)C1(C)CC1(C)C(C)C1CC=C(C)C1(C)C
InChIInChI=1S/C18H30/c1-12(2)17(7)11-18(17,8)14(4)15-10-9-13(3)16(15,5)6/h9,14-15H,1,10-11H2,2-8H3
InChIKeyATACDKNDYMCMNK-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene?
The IUPAC name of 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene (CID 20658909) is 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene.
What is the SMILES notation for 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene?
The canonical SMILES for 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene is C=C(C)C1(C)CC1(C)C(C)C1CC=C(C)C1(C)C.
What is the InChIKey of 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene?
The InChIKey is ATACDKNDYMCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-12(2)17(7)11-18(17,8)14(4)15-10-9-13(3)16(15,5)6/h9,14-15H,1,10-11H2,2-8H3.
What are the key properties of 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene?
4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene has a molecular weight of 246.44 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene is sourced from PubChem (CID 20658909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).