2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate

C19H24O2 — CID 6435837

IUPAC2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate
SMILESCC1=CCC(C(C)(C)OC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H24O2/c1-15-9-12-17(13-10-15)19(2,3)21-18(20)14-11-16-7-5-4-6-8-16/h4-9,11,14,17H,10,12-13H2,1-3H3/b14-11+
InChIKeyCKYQZYGVFMSSKH-SDNWHVSQSA-N
MW284.40 g/mol
LogP4.77
Rot. Bonds4

About 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate (PubChem CID 6435837) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate
PubChem CID6435837
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate
SMILESCC1=CCC(C(C)(C)OC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H24O2/c1-15-9-12-17(13-10-15)19(2,3)21-18(20)14-11-16-7-5-4-6-8-16/h4-9,11,14,17H,10,12-13H2,1-3H3/b14-11+
InChIKeyCKYQZYGVFMSSKH-SDNWHVSQSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate (CID 6435837) is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate is CC1=CCC(C(C)(C)OC(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate?
The InChIKey is CKYQZYGVFMSSKH-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H24O2/c1-15-9-12-17(13-10-15)19(2,3)21-18(20)14-11-16-7-5-4-6-8-16/h4-9,11,14,17H,10,12-13H2,1-3H3/b14-11+.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate?
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 6435837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).