(E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol

C20H38O2Si — CID 165155744

IUPAC(E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol
SMILESC/C(=C\C12CC(CCO[Si](C(C)C)(C(C)C)C(C)C)(C1)C2)CO
InChIInChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-9-8-19-12-20(13-19,14-19)10-18(7)11-21/h10,15-17,21H,8-9,11-14H2,1-7H3/b18-10+
InChIKeyPOYIEIRBKMVCMA-VCHYOVAHSA-N
MW338.61 g/mol
LogP5.68
Rot. Bonds9

About (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol

(E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol (PubChem CID 165155744) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol
PubChem CID165155744
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol
SMILESC/C(=C\C12CC(CCO[Si](C(C)C)(C(C)C)C(C)C)(C1)C2)CO
InChIInChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-9-8-19-12-20(13-19,14-19)10-18(7)11-21/h10,15-17,21H,8-9,11-14H2,1-7H3/b18-10+
InChIKeyPOYIEIRBKMVCMA-VCHYOVAHSA-N
XLogP5.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3,3,5,8,8-Pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol
CID 123989502
[4,4-Bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
CID 139774093
(E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol
CID 165155754
(2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol
CID 10975083
[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol
CID 11335962
(2E,6R)-8-{[Tert-butyl(dimethyl)silyl]oxy}-2,6-dimethyl-2-octen-1-OL
CID 99772010
1-(3,3-Dimethylcyclopropen-1-yl)-3-tri(propan-2-yl)silyloxypropan-1-ol
CID 102196548

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol?
The IUPAC name of (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol (CID 165155744) is (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol is C/C(=C\C12CC(CCO[Si](C(C)C)(C(C)C)C(C)C)(C1)C2)CO.
What is the InChIKey of (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol?
The InChIKey is POYIEIRBKMVCMA-VCHYOVAHSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-9-8-19-12-20(13-19,14-19)10-18(7)11-21/h10,15-17,21H,8-9,11-14H2,1-7H3/b18-10+.
What are the key properties of (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol?
(E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol has a molecular weight of 338.61 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol is sourced from PubChem (CID 165155744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).