(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol

C18H34O2Si — CID 58510383

IUPAC(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol
SMILESC#C[C@H](O)/C(C)=C/C(C)(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O2Si/c1-11-17(19)16(8)12-18(9,10)20-21(13(2)3,14(4)5)15(6)7/h1,12-15,17,19H,2-10H3/b16-12+/t17-/m0/s1
InChIKeyWSGOROFBNWWGEA-MOKGIYGOSA-N
MW310.55 g/mol
LogP4.90
Rot. Bonds7

About (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol

(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol (PubChem CID 58510383) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol
PubChem CID58510383
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol
SMILESC#C[C@H](O)/C(C)=C/C(C)(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O2Si/c1-11-17(19)16(8)12-18(9,10)20-21(13(2)3,14(4)5)15(6)7/h1,12-15,17,19H,2-10H3/b16-12+/t17-/m0/s1
InChIKeyWSGOROFBNWWGEA-MOKGIYGOSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.90
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol?
The IUPAC name of (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol (CID 58510383) is (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol.
What is the SMILES notation for (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol?
The canonical SMILES for (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol is C#C[C@H](O)/C(C)=C/C(C)(C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol?
The InChIKey is WSGOROFBNWWGEA-MOKGIYGOSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-11-17(19)16(8)12-18(9,10)20-21(13(2)3,14(4)5)15(6)7/h1,12-15,17,19H,2-10H3/b16-12+/t17-/m0/s1.
What are the key properties of (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol?
(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol has a molecular weight of 310.55 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol is sourced from PubChem (CID 58510383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).