(5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate

C20H38O2 — CID 71161265

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate
SMILESCCCCC(CC(=O)OC1CC(C)CCC1C(C)C)C(C)C
InChIInChI=1S/C20H38O2/c1-7-8-9-17(14(2)3)13-20(21)22-19-12-16(6)10-11-18(19)15(4)5/h14-19H,7-13H2,1-6H3
InChIKeyIQGPKJMQPBQBJO-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.84
Rot. Bonds8

About (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate

(5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate (PubChem CID 71161265) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate
PubChem CID71161265
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate
SMILESCCCCC(CC(=O)OC1CC(C)CCC1C(C)C)C(C)C
InChIInChI=1S/C20H38O2/c1-7-8-9-17(14(2)3)13-20(21)22-19-12-16(6)10-11-18(19)15(4)5/h14-19H,7-13H2,1-6H3
InChIKeyIQGPKJMQPBQBJO-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate 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

[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] decanoate
CID 12738088
(5-methyl-2-propan-2-ylcyclohexyl) 3-(5-methyl-2-propan-2-ylcyclohexyl)butanoate
CID 23619357
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-(bromomethyl)hexanoate
CID 170657865
[(1S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxyacetate
CID 175905801
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate
CID 172731984
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybutanoate
CID 134294532
(5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate
CID 155667718
butyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium
CID 22435804

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate (CID 71161265) is (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate is CCCCC(CC(=O)OC1CC(C)CCC1C(C)C)C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate?
The InChIKey is IQGPKJMQPBQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-7-8-9-17(14(2)3)13-20(21)22-19-12-16(6)10-11-18(19)15(4)5/h14-19H,7-13H2,1-6H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate has a molecular weight of 310.52 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 3-propan-2-ylheptanoate is sourced from PubChem (CID 71161265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).