(Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol

C21H38O2Si — CID 101403790

IUPAC(Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol
SMILESC=CC(CC#CC)/C(=C\CO)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-9-11-12-20(10-2)21(13-15-22)14-16-23-24(17(3)4,18(5)6)19(7)8/h10,13,17-20,22H,2,12,14-16H2,1,3-8H3/b21-13-
InChIKeySECODOCSFCTDDX-BKUYFWCQSA-N
MW350.62 g/mol
LogP5.70
Rot. Bonds11

About (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol

(Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol (PubChem CID 101403790) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol.

Molecular Properties

Compound Name(Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol
PubChem CID101403790
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol
SMILESC=CC(CC#CC)/C(=C\CO)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-9-11-12-20(10-2)21(13-15-22)14-16-23-24(17(3)4,18(5)6)19(7)8/h10,13,17-20,22H,2,12,14-16H2,1,3-8H3/b21-13-
InChIKeySECODOCSFCTDDX-BKUYFWCQSA-N
XLogP5.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.70
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 (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol?
The IUPAC name of (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol (CID 101403790) is (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol.
What is the SMILES notation for (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol?
The canonical SMILES for (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol is C=CC(CC#CC)/C(=C\CO)CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol?
The InChIKey is SECODOCSFCTDDX-BKUYFWCQSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-9-11-12-20(10-2)21(13-15-22)14-16-23-24(17(3)4,18(5)6)19(7)8/h10,13,17-20,22H,2,12,14-16H2,1,3-8H3/b21-13-.
What are the key properties of (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol?
(Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol has a molecular weight of 350.62 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol is sourced from PubChem (CID 101403790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).