(3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate

C24H44O2 — CID 18683566

IUPAC(3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate
SMILESCCCC1C(C)C(C)C(C)C2C(C)C(C)CC(OC(=O)C(C)(C)CC)C12
InChIInChI=1S/C24H44O2/c1-10-12-19-17(6)16(5)18(7)21-15(4)14(3)13-20(22(19)21)26-23(25)24(8,9)11-2/h14-22H,10-13H2,1-9H3
InChIKeyXBBFQSHNMNOEEQ-UHFFFAOYSA-N
MW364.61 g/mol
LogP6.58
Rot. Bonds5

About (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate

(3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate (PubChem CID 18683566) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate
PubChem CID18683566
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name(3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate
SMILESCCCC1C(C)C(C)C(C)C2C(C)C(C)CC(OC(=O)C(C)(C)CC)C12
InChIInChI=1S/C24H44O2/c1-10-12-19-17(6)16(5)18(7)21-15(4)14(3)13-20(22(19)21)26-23(25)24(8,9)11-2/h14-22H,10-13H2,1-9H3
InChIKeyXBBFQSHNMNOEEQ-UHFFFAOYSA-N
XLogP6.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate 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

(3,4,5-trimethylcyclohexyl) 2,2-dimethylbutanoate
CID 167692238
[(1S,3S,4S,4aR,7S,8S,8aR)-8-[(3R,5R)-3,5-dihydroxyheptyl]-4-hydroxy-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate
CID 57109055
[(3R,7S,8S,8aR)-3,7-dimethyl-8-propyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
CID 130319879
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
CID 18336307
1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 59116018
[(1R,5R)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] 2,2-dimethylbutanoate
CID 91867225
[5,6-bis(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate
CID 71004666
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 59917128
[5-(2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate
CID 58252791
(1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate
CID 58545307
2-[(1R,2R,4aS,8R,8aS)-8-(2,2-dimethylbutanoyloxy)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethyl-(3-carboxy-2-oxopropyl)-dihydroxyphosphanium
CID 57006954
2-(1-adamantyl)pentan-2-yl 2,2-dimethylbutanoate
CID 59657146

Frequently Asked Questions

What is the IUPAC name of (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate?
The IUPAC name of (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate (CID 18683566) is (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate is CCCC1C(C)C(C)C(C)C2C(C)C(C)CC(OC(=O)C(C)(C)CC)C12.
What is the InChIKey of (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate?
The InChIKey is XBBFQSHNMNOEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-10-12-19-17(6)16(5)18(7)21-15(4)14(3)13-20(22(19)21)26-23(25)24(8,9)11-2/h14-22H,10-13H2,1-9H3.
What are the key properties of (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate?
(3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate has a molecular weight of 364.61 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 18683566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).