methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate

C19H34BNO5 — CID 102364793

IUPACmethyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate
SMILESCCCC/C(=C\C(C(=O)OC)N1CCOCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H34BNO5/c1-7-8-9-15(20-25-18(2,3)19(4,5)26-20)14-16(17(22)23-6)21-10-12-24-13-11-21/h14,16H,7-13H2,1-6H3/b15-14+
InChIKeyKAAHZSGGSOPMHY-CCEZHUSRSA-N
MW367.30 g/mol
LogP2.61
Rot. Bonds7

About methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate

methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate (PubChem CID 102364793) has the molecular formula C19H34BNO5 and a molecular weight of 367.30 g/mol. Its IUPAC name is methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate
PubChem CID102364793
Molecular FormulaC19H34BNO5
Molecular Weight367.30 g/mol
Exact Mass367.25
IUPAC Namemethyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate
SMILESCCCC/C(=C\C(C(=O)OC)N1CCOCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H34BNO5/c1-7-8-9-15(20-25-18(2,3)19(4,5)26-20)14-16(17(22)23-6)21-10-12-24-13-11-21/h14,16H,7-13H2,1-6H3/b15-14+
InChIKeyKAAHZSGGSOPMHY-CCEZHUSRSA-N
XLogP2.61
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
CID 101419276
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
CID 103262996
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]pentanamide
CID 112504087
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-(2-morpholin-4-ylethoxy)pentanamide
CID 110642743
N-(2-hydroxy-3-morpholin-4-ylpropyl)pentanamide
CID 110887202
dimethyl 2-[(E)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-enyl]propanedioate
CID 101495363
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
CID 116860405
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
1-amino-1-morpholin-4-ylheptadecan-4-one
CID 57166044

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate?
The IUPAC name of methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate (CID 102364793) is methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate.
What is the SMILES notation for methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate?
The canonical SMILES for methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate is CCCC/C(=C\C(C(=O)OC)N1CCOCC1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate?
The InChIKey is KAAHZSGGSOPMHY-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H34BNO5/c1-7-8-9-15(20-25-18(2,3)19(4,5)26-20)14-16(17(22)23-6)21-10-12-24-13-11-21/h14,16H,7-13H2,1-6H3/b15-14+.
What are the key properties of methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate?
methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate has a molecular weight of 367.30 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-3-enoate is sourced from PubChem (CID 102364793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).