methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate

C19H32O4Si — CID 134960855

IUPACmethyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate
SMILESC=CC(=O)[C@]1(O[Si](C)(C)C)CC[C@@H](C)[C@@]1(CCC(=C)C)C(=O)OC
InChIInChI=1S/C19H32O4Si/c1-9-16(20)19(23-24(6,7)8)13-11-15(4)18(19,17(21)22-5)12-10-14(2)3/h9,15H,1-2,10-13H2,3-8H3/t15-,18+,19-/m1/s1
InChIKeyNIQSSRKLJJXAGC-AYOQOUSVSA-N
MW352.55 g/mol
LogP4.28
Rot. Bonds8

About methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate

methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate (PubChem CID 134960855) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate
PubChem CID134960855
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Namemethyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate
SMILESC=CC(=O)[C@]1(O[Si](C)(C)C)CC[C@@H](C)[C@@]1(CCC(=C)C)C(=O)OC
InChIInChI=1S/C19H32O4Si/c1-9-16(20)19(23-24(6,7)8)13-11-15(4)18(19,17(21)22-5)12-10-14(2)3/h9,15H,1-2,10-13H2,3-8H3/t15-,18+,19-/m1/s1
InChIKeyNIQSSRKLJJXAGC-AYOQOUSVSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate
CID 53306669
methyl 1-(3-methylbut-3-enyl)-2-oxocyclopentane-1-carboxylate
CID 13346573
dimethyl 2-methylcyclobutane-1,1-dicarboxylate
CID 574749
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate
CID 102198667
methyl 2-methyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 62353103
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
CID 176940576
methyl 1-(2-methylprop-2-enyl)cyclopentane-1-carboxylate
CID 123177343
methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate
CID 10584641
3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
CID 114473272

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate (CID 134960855) is methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate is C=CC(=O)[C@]1(O[Si](C)(C)C)CC[C@@H](C)[C@@]1(CCC(=C)C)C(=O)OC.
What is the InChIKey of methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate?
The InChIKey is NIQSSRKLJJXAGC-AYOQOUSVSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-9-16(20)19(23-24(6,7)8)13-11-15(4)18(19,17(21)22-5)12-10-14(2)3/h9,15H,1-2,10-13H2,3-8H3/t15-,18+,19-/m1/s1.
What are the key properties of methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate?
methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate has a molecular weight of 352.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,5R)-5-methyl-1-(3-methylbut-3-enyl)-2-prop-2-enoyl-2-trimethylsilyloxycyclopentane-1-carboxylate is sourced from PubChem (CID 134960855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).