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

C19H26O2 — CID 2750488

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate
SMILESCC1CCC(C(C)C)C(OC(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C19H26O2/c1-14(2)17-11-9-15(3)13-18(17)21-19(20)12-10-16-7-5-4-6-8-16/h4-8,10,12,14-15,17-18H,9,11,13H2,1-3H3
InChIKeyXUHLCFAFTMPEKX-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.70
Rot. Bonds4

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

(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate (PubChem CID 2750488) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate
PubChem CID2750488
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate
SMILESCC1CCC(C(C)C)C(OC(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C19H26O2/c1-14(2)17-11-9-15(3)13-18(17)21-19(20)12-10-16-7-5-4-6-8-16/h4-8,10,12,14-15,17-18H,9,11,13H2,1-3H3
InChIKeyXUHLCFAFTMPEKX-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate (CID 2750488) is (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate 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-enoate?
The InChIKey is XUHLCFAFTMPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14(2)17-11-9-15(3)13-18(17)21-19(20)12-10-16-7-5-4-6-8-16/h4-8,10,12,14-15,17-18H,9,11,13H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate?
(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-enoate has a molecular weight of 286.42 g/mol, XLogP of 4.70, 4 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-enoate is sourced from PubChem (CID 2750488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).