dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate

C20H34O4Si — CID 10915542

IUPACdimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H34O4Si/c1-13(2)25(14(3)4,15(5)6)12-17-11-20(10-16(17)7,18(21)23-8)19(22)24-9/h12-15H,7,10-11H2,1-6,8-9H3/b17-12-
InChIKeyDNNMFJIUHIPQTN-ATVHPVEESA-N
MW366.57 g/mol
LogP4.81
Rot. Bonds6

About dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate

dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate (PubChem CID 10915542) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate
PubChem CID10915542
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Namedimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H34O4Si/c1-13(2)25(14(3)4,15(5)6)12-17-11-20(10-16(17)7,18(21)23-8)19(22)24-9/h12-15H,7,10-11H2,1-6,8-9H3/b17-12-
InChIKeyDNNMFJIUHIPQTN-ATVHPVEESA-N
XLogP4.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101130864
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10696681
1,1-Cyclopentanedicarboxylic acid, 3,4-bis(methylene)-, diethyl ester
CID 11075489
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686
dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate
CID 101219663
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620

Frequently Asked Questions

What is the IUPAC name of dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate (CID 10915542) is dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate?
The InChIKey is DNNMFJIUHIPQTN-ATVHPVEESA-N. The full InChI is InChI=1S/C20H34O4Si/c1-13(2)25(14(3)4,15(5)6)12-17-11-20(10-16(17)7,18(21)23-8)19(22)24-9/h12-15H,7,10-11H2,1-6,8-9H3/b17-12-.
What are the key properties of dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate?
dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate has a molecular weight of 366.57 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10915542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).