(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate

C19H24O2 — CID 2750811

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate
SMILESCC1CCC(C(C)C)C(OC(=O)C#Cc2ccccc2)C1
InChIInChI=1S/C19H24O2/c1-14(2)17-11-9-15(3)13-18(17)21-19(20)12-10-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9,11,13H2,1-3H3
InChIKeyWDOZQXWWPJRUPB-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.04
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate

(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate (PubChem CID 2750811) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate
PubChem CID2750811
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate
SMILESCC1CCC(C(C)C)C(OC(=O)C#Cc2ccccc2)C1
InChIInChI=1S/C19H24O2/c1-14(2)17-11-9-15(3)13-18(17)21-19(20)12-10-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9,11,13H2,1-3H3
InChIKeyWDOZQXWWPJRUPB-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate 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

bis[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] but-2-ynedioate
CID 11868487
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
3,3-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]prop-1-ynylbenzene
CID 12964719
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 124836317
(5-methyl-2-propan-2-ylcyclohexyl) 2-chlorobenzoate
CID 71594437
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
[(2R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methyl-3-phenylbutanoate
CID 59897726
trans-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,3S)-2,3-diphenylcyclopropane-1-carboxylate
CID 11440296
[2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]-triphenylphosphanium
CID 98143975
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-phenylprop-2-enoate
CID 7053810
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate (CID 2750811) is (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate is CC1CCC(C(C)C)C(OC(=O)C#Cc2ccccc2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate?
The InChIKey is WDOZQXWWPJRUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-14(2)17-11-9-15(3)13-18(17)21-19(20)12-10-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9,11,13H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate?
(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate has a molecular weight of 284.40 g/mol, XLogP of 4.04, 2 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-phenylprop-2-ynoate is sourced from PubChem (CID 2750811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).