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

C18H32 — CID 20682894

IUPAC4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene
SMILESCC1=CCC(C(C)C2(C)CC2(C)C(C)C)C1(C)C
InChIInChI=1S/C18H32/c1-12(2)17(7)11-18(17,8)14(4)15-10-9-13(3)16(15,5)6/h9,12,14-15H,10-11H2,1-8H3
InChIKeyDRUDRHGZJMONTM-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.69
Rot. Bonds3

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

4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene (PubChem CID 20682894) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene.

Molecular Properties

Compound Name4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene
PubChem CID20682894
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene
SMILESCC1=CCC(C(C)C2(C)CC2(C)C(C)C)C1(C)C
InChIInChI=1S/C18H32/c1-12(2)17(7)11-18(17,8)14(4)15-10-9-13(3)16(15,5)6/h9,12,14-15H,10-11H2,1-8H3
InChIKeyDRUDRHGZJMONTM-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.69
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

3-Carene
CID 26049
(+)-3-Carene
CID 443156
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
alpha-Thujene
CID 17868
2-Carene
CID 79044
beta-Thujene
CID 520384
Bicyclogermacrene
CID 13894537
Sesquisabinene
CID 25202482
(-)-alpha-Thujene
CID 637518
Casbene
CID 5280437
Sesquithujene
CID 25147318

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene?
The IUPAC name of 4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene (CID 20682894) is 4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene.
What is the SMILES notation for 4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene?
The canonical SMILES for 4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene is CC1=CCC(C(C)C2(C)CC2(C)C(C)C)C1(C)C.
What is the InChIKey of 4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene?
The InChIKey is DRUDRHGZJMONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-12(2)17(7)11-18(17,8)14(4)15-10-9-13(3)16(15,5)6/h9,12,14-15H,10-11H2,1-8H3.
What are the key properties of 4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene?
4-[1-(1,2-dimethyl-2-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene has a molecular weight of 248.45 g/mol, XLogP of 5.69, 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-propan-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene is sourced from PubChem (CID 20682894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).