ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate

C15H24O3Te — CID 134881606

IUPACethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate
SMILESCCOC(=O)/C=C\[Te]CC12CCC(CC1O)C2(C)C
InChIInChI=1S/C15H24O3Te/c1-4-18-13(17)6-8-19-10-15-7-5-11(9-12(15)16)14(15,2)3/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3/b8-6-
InChIKeyRTMYMTABGZWBFJ-VURMDHGXSA-N
MW379.95 g/mol
LogP2.37
Rot. Bonds5

About ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate

ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate (PubChem CID 134881606) has the molecular formula C15H24O3Te and a molecular weight of 379.95 g/mol. Its IUPAC name is ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate
PubChem CID134881606
Molecular FormulaC15H24O3Te
Molecular Weight379.95 g/mol
Exact Mass382.08
IUPAC Nameethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate
SMILESCCOC(=O)/C=C\[Te]CC12CCC(CC1O)C2(C)C
InChIInChI=1S/C15H24O3Te/c1-4-18-13(17)6-8-19-10-15-7-5-11(9-12(15)16)14(15,2)3/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3/b8-6-
InChIKeyRTMYMTABGZWBFJ-VURMDHGXSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.95
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate with MolForge

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Related Compounds

methyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]hex-2-enoate
CID 134881607
methyl (Z)-3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]prop-2-enoate
CID 23254199
methyl (Z)-3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfinyl]prop-2-enoate
CID 23254194
(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
(E)-3-[[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylselanyl]prop-2-enoic acid
CID 100922161
(1R,2R)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 131173336
[(1S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 142707993
[(1R,2S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 174646583
dimethyl 2-[ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-lambda4-sulfanylidene]propanedioate
CID 15249281
methyl 2-[(R)-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfinyl]prop-2-enoate
CID 11129892
ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916277
(1S,2R,4R)-1-[[(1E,3E)-4-methoxybuta-1,3-dienyl]sulfinylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 102518557

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate (CID 134881606) is ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate is CCOC(=O)/C=C\[Te]CC12CCC(CC1O)C2(C)C.
What is the InChIKey of ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate?
The InChIKey is RTMYMTABGZWBFJ-VURMDHGXSA-N. The full InChI is InChI=1S/C15H24O3Te/c1-4-18-13(17)6-8-19-10-15-7-5-11(9-12(15)16)14(15,2)3/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3/b8-6-.
What are the key properties of ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate?
ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate has a molecular weight of 379.95 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methyltellanyl]prop-2-enoate is sourced from PubChem (CID 134881606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).