trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate

C21H38O3Si — CID 154707336

IUPACtrans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OC)CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1=C
InChIInChI=1S/C21H38O3Si/c1-10-12-21(20(22)23-9)13-11-19(18(21)8)14-24-25(15(2)3,16(4)5)17(6)7/h10,15-17,19H,1,8,11-14H2,2-7,9H3/t19-,21-/m0/s1
InChIKeyDUQKIDSZBKWXTJ-FPOVZHCZSA-N
MW366.62 g/mol
LogP5.88
Rot. Bonds9

About trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate

trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate (PubChem CID 154707336) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
PubChem CID154707336
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Nametrans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OC)CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1=C
InChIInChI=1S/C21H38O3Si/c1-10-12-21(20(22)23-9)13-11-19(18(21)8)14-24-25(15(2)3,16(4)5)17(6)7/h10,15-17,19H,1,8,11-14H2,2-7,9H3/t19-,21-/m0/s1
InChIKeyDUQKIDSZBKWXTJ-FPOVZHCZSA-N
XLogP5.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
CID 135028109
trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
CID 154707334
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate
CID 10991451
trans-methyl (1S,2R)-2-methyl-1-[(2R)-3-[tri(propan-2-yl)silyloxymethyl]but-3-en-2-yl]cyclopentane-1-carboxylate
CID 101854200

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate (CID 154707336) is trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate is C=CC[C@]1(C(=O)OC)CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1=C.
What is the InChIKey of trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate?
The InChIKey is DUQKIDSZBKWXTJ-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-10-12-21(20(22)23-9)13-11-19(18(21)8)14-24-25(15(2)3,16(4)5)17(6)7/h10,15-17,19H,1,8,11-14H2,2-7,9H3/t19-,21-/m0/s1.
What are the key properties of trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate?
trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate has a molecular weight of 366.62 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 154707336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).