(1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol

C17H34O2Si — CID 72793137

IUPAC(1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol
SMILESC=C[C@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C[C@H]1O
InChIInChI=1S/C17H34O2Si/c1-9-15-16(18)10-14(8)17(15)19-20(11(2)3,12(4)5)13(6)7/h9,11-18H,1,10H2,2-8H3/t14-,15-,16-,17+/m1/s1
InChIKeyNEVFWOKEAHXDII-VQHPVUNQSA-N
MW298.54 g/mol
LogP4.75
Rot. Bonds6

About (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol

(1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol (PubChem CID 72793137) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol
PubChem CID72793137
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol
SMILESC=C[C@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C[C@H]1O
InChIInChI=1S/C17H34O2Si/c1-9-15-16(18)10-14(8)17(15)19-20(11(2)3,12(4)5)13(6)7/h9,11-18H,1,10H2,2-8H3/t14-,15-,16-,17+/m1/s1
InChIKeyNEVFWOKEAHXDII-VQHPVUNQSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The IUPAC name of (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol (CID 72793137) is (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The canonical SMILES for (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol is C=C[C@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C[C@H]1O.
What is the InChIKey of (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol?
The InChIKey is NEVFWOKEAHXDII-VQHPVUNQSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-15-16(18)10-14(8)17(15)19-20(11(2)3,12(4)5)13(6)7/h9,11-18H,1,10H2,2-8H3/t14-,15-,16-,17+/m1/s1.
What are the key properties of (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol?
(1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol is sourced from PubChem (CID 72793137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).