1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane

C22H40 — CID 123685267

IUPAC1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane
SMILESC=C(C(C)C)C(C)C1CC1C1CCCCCC(C)(CC)CC1
InChIInChI=1S/C22H40/c1-7-22(6)13-10-8-9-11-19(12-14-22)21-15-20(21)18(5)17(4)16(2)3/h16,18-21H,4,7-15H2,1-3,5-6H3
InChIKeyLISDIGNMNAGGFT-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.25
Rot. Bonds5

About 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane

1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane (PubChem CID 123685267) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane.

Molecular Properties

Compound Name1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane
PubChem CID123685267
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane
SMILESC=C(C(C)C)C(C)C1CC1C1CCCCCC(C)(CC)CC1
InChIInChI=1S/C22H40/c1-7-22(6)13-10-8-9-11-19(12-14-22)21-15-20(21)18(5)17(4)16(2)3/h16,18-21H,4,7-15H2,1-3,5-6H3
InChIKeyLISDIGNMNAGGFT-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.25
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

Casbene
CID 5280437
(-)-Casbene
CID 5316105
3,7,11,15,15-Pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 439496
6,10,10-Trimethyl-2-methylidenebicyclo[7.2.0]undecane
CID 18372029
10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane
CID 577397
Macrophomene
CID 165368626
(1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane
CID 162940691
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane?
The IUPAC name of 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane (CID 123685267) is 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane.
What is the SMILES notation for 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane?
The canonical SMILES for 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane is C=C(C(C)C)C(C)C1CC1C1CCCCCC(C)(CC)CC1.
What is the InChIKey of 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane?
The InChIKey is LISDIGNMNAGGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-7-22(6)13-10-8-9-11-19(12-14-22)21-15-20(21)18(5)17(4)16(2)3/h16,18-21H,4,7-15H2,1-3,5-6H3.
What are the key properties of 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane?
1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane has a molecular weight of 304.56 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane is sourced from PubChem (CID 123685267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).