1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane

C27H54 — CID 123530730

IUPAC1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane
SMILESCCCC(CCCC(CC)C(C)C)CC(CC)CC1CCCCC(C)CC1
InChIInChI=1S/C27H54/c1-7-13-25(16-12-17-27(9-3)22(4)5)20-24(8-2)21-26-15-11-10-14-23(6)18-19-26/h22-27H,7-21H2,1-6H3
InChIKeyNVAGOJGSYDKCBB-UHFFFAOYSA-N
MW378.73 g/mol
LogP9.67
Rot. Bonds13

About 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane

1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane (PubChem CID 123530730) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane.

Molecular Properties

Compound Name1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane
PubChem CID123530730
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane
SMILESCCCC(CCCC(CC)C(C)C)CC(CC)CC1CCCCC(C)CC1
InChIInChI=1S/C27H54/c1-7-13-25(16-12-17-27(9-3)22(4)5)20-24(8-2)21-26-15-11-10-14-23(6)18-19-26/h22-27H,7-21H2,1-6H3
InChIKeyNVAGOJGSYDKCBB-UHFFFAOYSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane 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

(10-methyl-2,4-dipropylhexadecyl)cyclobutane
CID 123528553
2-(cyclopropylmethyl)pentylcyclobutane
CID 57282892
1-(7-ethyl-15-methyl-2-propylheptadecyl)-3-methylcyclohexane
CID 178080856
2-propylpentylcyclobutane
CID 123848725
2-propan-2-ylpentylcyclobutane
CID 161147859
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
2-(cyclopentylmethyl)pentan-1-amine
CID 62503490
1-(3-butylheptyl)-6-methylcyclodecane
CID 135036007
1-(7-ethyl-15-iodo-2-propylheptadecyl)-3-methylcyclohexane
CID 178080854
3,5-diethyl-2-methyloctane
CID 57491216
1-ethyl-4-methylcyclooctane;methane
CID 159989571

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane?
The IUPAC name of 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane (CID 123530730) is 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane.
What is the SMILES notation for 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane?
The canonical SMILES for 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane is CCCC(CCCC(CC)C(C)C)CC(CC)CC1CCCCC(C)CC1.
What is the InChIKey of 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane?
The InChIKey is NVAGOJGSYDKCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54/c1-7-13-25(16-12-17-27(9-3)22(4)5)20-24(8-2)21-26-15-11-10-14-23(6)18-19-26/h22-27H,7-21H2,1-6H3.
What are the key properties of 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane?
1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane has a molecular weight of 378.73 g/mol, XLogP of 9.67, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diethyl-9-methyl-4-propyldecyl)-4-methylcyclooctane is sourced from PubChem (CID 123530730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).