methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate

C19H26O3 — CID 164579298

IUPACmethyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate
SMILESC=C[C@@H](OC1CCCCC1)[C@H](C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C19H26O3/c1-4-17(22-16-8-6-5-7-9-16)18(19(20)21-3)15-12-10-14(2)11-13-15/h4,10-13,16-18H,1,5-9H2,2-3H3/t17-,18-/m1/s1
InChIKeyXMQMDGPJWZGMAZ-QZTJIDSGSA-N
MW302.41 g/mol
LogP4.16
Rot. Bonds6

About methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate

methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate (PubChem CID 164579298) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate
PubChem CID164579298
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Namemethyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate
SMILESC=C[C@@H](OC1CCCCC1)[C@H](C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C19H26O3/c1-4-17(22-16-8-6-5-7-9-16)18(19(20)21-3)15-12-10-14(2)11-13-15/h4,10-13,16-18H,1,5-9H2,2-3H3/t17-,18-/m1/s1
InChIKeyXMQMDGPJWZGMAZ-QZTJIDSGSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide
CID 164579276
dimethyl (2S,3R)-2-bromo-3-(4-methylphenyl)butanedioate
CID 92860865
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
[2-iodo-1-(4-methylphenyl)ethoxy]cycloheptane
CID 114773753
methyl (2S)-2-(4-methylphenyl)-2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 100959760
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
cyclohexyl N-[(4-methylphenyl)methylidene]carbamate
CID 2759800
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate
CID 141414414
dimethyl 2-[1-(4-methylphenyl)ethyl]propanedioate
CID 141073428
methyl 2-[2-(4-methylphenyl)cycloheptyl]acetate
CID 82245970

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate?
The IUPAC name of methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate (CID 164579298) is methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate.
What is the SMILES notation for methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate?
The canonical SMILES for methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate is C=C[C@@H](OC1CCCCC1)[C@H](C(=O)OC)c1ccc(C)cc1.
What is the InChIKey of methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate?
The InChIKey is XMQMDGPJWZGMAZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H26O3/c1-4-17(22-16-8-6-5-7-9-16)18(19(20)21-3)15-12-10-14(2)11-13-15/h4,10-13,16-18H,1,5-9H2,2-3H3/t17-,18-/m1/s1.
What are the key properties of methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate?
methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate has a molecular weight of 302.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-cyclohexyloxy-2-(4-methylphenyl)pent-4-enoate is sourced from PubChem (CID 164579298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).