1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane

C22H40 — CID 91383260

IUPAC1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane
SMILESC=C(C(C)CCC1CC1(C)C(C)C(C)C)C1(C)CC1(C)CC
InChIInChI=1S/C22H40/c1-10-20(7)14-22(20,9)18(6)16(4)11-12-19-13-21(19,8)17(5)15(2)3/h15-17,19H,6,10-14H2,1-5,7-9H3
InChIKeyCOSXPMVOIFXZHW-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.10
Rot. Bonds8

About 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane

1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane (PubChem CID 91383260) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane.

Molecular Properties

Compound Name1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane
PubChem CID91383260
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane
SMILESC=C(C(C)CCC1CC1(C)C(C)C(C)C)C1(C)CC1(C)CC
InChIInChI=1S/C22H40/c1-10-20(7)14-22(20,9)18(6)16(4)11-12-19-13-21(19,8)17(5)15(2)3/h15-17,19H,6,10-14H2,1-5,7-9H3
InChIKeyCOSXPMVOIFXZHW-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Casbene
CID 5280437
(-)-Casbene
CID 5316105
3,7,11,15,15-Pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 439496
Macrophomene
CID 165368626
1,1-Dimethyl-2-(2-methyl-2-propenyl)cyclopropane
CID 534976
1-Pentene, 5-(2,2-dimethylcyclopropyl)-2-methyl-4-methylene-
CID 535149
3,7,11,15,15-Pentamethylbicyclo(12.1.0)pentadeca-2,6,10-triene
CID 6450251
3-Ethyl-1-fluoro-4,7-dimethyl-4-(3-methylbut-1-en-2-yl)octane
CID 146538232
1-(4-Tert-butyl-5-methylhexa-1,5-dien-2-yl)-1-fluorocyclopropane
CID 169620909
8-Methylidene-2-prop-1-en-2-ylspiro[2.5]octane
CID 12435167
4-Methylidene-1-(prop-1-en-2-yl)spiro[2.6]nonane
CID 12435173
1,1,2,2,5,5,6,6-Octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
CID 12706186

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane?
The IUPAC name of 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane (CID 91383260) is 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane.
What is the SMILES notation for 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane?
The canonical SMILES for 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane is C=C(C(C)CCC1CC1(C)C(C)C(C)C)C1(C)CC1(C)CC.
What is the InChIKey of 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane?
The InChIKey is COSXPMVOIFXZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-10-20(7)14-22(20,9)18(6)16(4)11-12-19-13-21(19,8)17(5)15(2)3/h15-17,19H,6,10-14H2,1-5,7-9H3.
What are the key properties of 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane?
1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane has a molecular weight of 304.56 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane is sourced from PubChem (CID 91383260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).