3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene

C24H44 — CID 123700316

IUPAC3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
SMILESCCC(C)CCCCC(CC)C1C2CC2C(C)C2C(CC)CCC21
InChIInChI=1S/C24H44/c1-6-16(4)11-9-10-12-18(7-2)24-20-14-13-19(8-3)23(20)17(5)21-15-22(21)24/h16-24H,6-15H2,1-5H3
InChIKeyIADORQYWEVBYAY-UHFFFAOYSA-N
MW332.62 g/mol
LogP7.57
Rot. Bonds9

About 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene

3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene (PubChem CID 123700316) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene.

Molecular Properties

Compound Name3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
PubChem CID123700316
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
SMILESCCC(C)CCCCC(CC)C1C2CC2C(C)C2C(CC)CCC21
InChIInChI=1S/C24H44/c1-6-16(4)11-9-10-12-18(7-2)24-20-14-13-19(8-3)23(20)17(5)21-15-22(21)24/h16-24H,6-15H2,1-5H3
InChIKeyIADORQYWEVBYAY-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene with MolForge

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Related Compounds

1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane
CID 123705938
2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane
CID 123495492
5-pentan-3-ylbicyclo[2.1.0]pentane
CID 123841623
3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
CID 123742163
1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane
CID 123143515
1-methyl-2-(5-methylheptyl)cycloheptane
CID 123996551
7-methylnonylcyclopropane
CID 123906260
(3R,7R)-3,7-dimethylnonane
CID 42626759
1-ethyl-2-(5-methylheptyl)-4-(10-methyl-2-pentylundecyl)cyclohexane
CID 58895748
10-ethyl-6-methyltetracyclo[5.4.0.02,5.08,11]undecane
CID 143368983
4-butan-2-yl-1-(4-methylhexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123912023
1,3-diethylcyclohexane;hexane;3-methylheptane
CID 164992405

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene?
The IUPAC name of 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene (CID 123700316) is 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene.
What is the SMILES notation for 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene?
The canonical SMILES for 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene is CCC(C)CCCCC(CC)C1C2CC2C(C)C2C(CC)CCC21.
What is the InChIKey of 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene?
The InChIKey is IADORQYWEVBYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-6-16(4)11-9-10-12-18(7-2)24-20-14-13-19(8-3)23(20)17(5)21-15-22(21)24/h16-24H,6-15H2,1-5H3.
What are the key properties of 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene?
3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene has a molecular weight of 332.62 g/mol, XLogP of 7.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene is sourced from PubChem (CID 123700316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).