(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol

C19H40O3Si — CID 134863671

IUPAC(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol
SMILESC/C(=C\[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@H](C)CO
InChIInChI=1S/C19H40O3Si/c1-13(2)23(14(3)4,15(5)6)22-12-16(7)10-17(8)19(21)18(9)11-20/h10,13-16,18-21H,11-12H2,1-9H3/b17-10+/t16-,18+,19+/m0/s1
InChIKeyRUAGTLWQRKTMKO-RRCVEZJGSA-N
MW344.61 g/mol
LogP4.75
Rot. Bonds10

About (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol

(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol (PubChem CID 134863671) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol.

Molecular Properties

Compound Name(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol
PubChem CID134863671
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Name(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol
SMILESC/C(=C\[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@H](C)CO
InChIInChI=1S/C19H40O3Si/c1-13(2)23(14(3)4,15(5)6)22-12-16(7)10-17(8)19(21)18(9)11-20/h10,13-16,18-21H,11-12H2,1-9H3/b17-10+/t16-,18+,19+/m0/s1
InChIKeyRUAGTLWQRKTMKO-RRCVEZJGSA-N
XLogP4.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.75
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol?
The IUPAC name of (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol (CID 134863671) is (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol.
What is the SMILES notation for (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol?
The canonical SMILES for (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol is C/C(=C\[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@H](C)CO.
What is the InChIKey of (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol?
The InChIKey is RUAGTLWQRKTMKO-RRCVEZJGSA-N. The full InChI is InChI=1S/C19H40O3Si/c1-13(2)23(14(3)4,15(5)6)22-12-16(7)10-17(8)19(21)18(9)11-20/h10,13-16,18-21H,11-12H2,1-9H3/b17-10+/t16-,18+,19+/m0/s1.
What are the key properties of (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol?
(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol has a molecular weight of 344.61 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol is sourced from PubChem (CID 134863671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).