(E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol

C16H34O3Si — CID 25191434

IUPAC(E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol
SMILESCO[C@@H](/C=C(\C)CO)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-12(2)20(13(3)4,14(5)6)19-11-16(18-8)9-15(7)10-17/h9,12-14,16-17H,10-11H2,1-8H3/b15-9+/t16-/m0/s1
InChIKeyHHVDOPPFYFKMCU-LRQZKABGSA-N
MW302.53 g/mol
LogP4.13
Rot. Bonds9

About (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol

(E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol (PubChem CID 25191434) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol.

Molecular Properties

Compound Name(E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol
PubChem CID25191434
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol
SMILESCO[C@@H](/C=C(\C)CO)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-12(2)20(13(3)4,14(5)6)19-11-16(18-8)9-15(7)10-17/h9,12-14,16-17H,10-11H2,1-8H3/b15-9+/t16-/m0/s1
InChIKeyHHVDOPPFYFKMCU-LRQZKABGSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
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,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol?
The IUPAC name of (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol (CID 25191434) is (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol.
What is the SMILES notation for (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol?
The canonical SMILES for (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol is CO[C@@H](/C=C(\C)CO)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol?
The InChIKey is HHVDOPPFYFKMCU-LRQZKABGSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-12(2)20(13(3)4,14(5)6)19-11-16(18-8)9-15(7)10-17/h9,12-14,16-17H,10-11H2,1-8H3/b15-9+/t16-/m0/s1.
What are the key properties of (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol?
(E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol has a molecular weight of 302.53 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-methoxy-2-methyl-5-tri(propan-2-yl)silyloxypent-2-en-1-ol is sourced from PubChem (CID 25191434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).