2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

C24H44 — CID 91321156

IUPAC2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESCC(C)CC1CC2CC3CC(C)C(CC(C)C)CC3CC2CC1C
InChIInChI=1S/C24H44/c1-15(2)7-19-11-23-13-22-10-18(6)20(8-16(3)4)12-24(22)14-21(23)9-17(19)5/h15-24H,7-14H2,1-6H3
InChIKeyMLFQFJZMGSCMSZ-UHFFFAOYSA-N
MW332.62 g/mol
LogP7.43
Rot. Bonds4

About 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (PubChem CID 91321156) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.

Molecular Properties

Compound Name2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
PubChem CID91321156
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESCC(C)CC1CC2CC3CC(C)C(CC(C)C)CC3CC2CC1C
InChIInChI=1S/C24H44/c1-15(2)7-19-11-23-13-22-10-18(6)20(8-16(3)4)12-24(22)14-21(23)9-17(19)5/h15-24H,7-14H2,1-6H3
InChIKeyMLFQFJZMGSCMSZ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene with MolForge

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Related Compounds

1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane
CID 55253031
1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol
CID 143693119
1-(2-bromopropyl)-2-methylcyclopropane
CID 146693854
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
N-methyl-1-(2-methylcyclopropyl)propan-2-amine
CID 91182461
ethane;3-methyl-4-(2-methylpropyl)oxolane
CID 142538144
2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane
CID 59941268
4-cyclopropyl-1-(fluoromethyl)-2-methylcyclopentane
CID 163813389
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 173447814
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244
6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 158716874

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The IUPAC name of 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (CID 91321156) is 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.
What is the SMILES notation for 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The canonical SMILES for 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is CC(C)CC1CC2CC3CC(C)C(CC(C)C)CC3CC2CC1C.
What is the InChIKey of 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The InChIKey is MLFQFJZMGSCMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-15(2)7-19-11-23-13-22-10-18(6)20(8-16(3)4)12-24(22)14-21(23)9-17(19)5/h15-24H,7-14H2,1-6H3.
What are the key properties of 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene has a molecular weight of 332.62 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is sourced from PubChem (CID 91321156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).