[(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate

C18H30O2Si — CID 6917464

IUPAC[(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate
SMILESC=CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C=C
InChIInChI=1S/C18H30O2Si/c1-9-11-17(20-18(19)10-2)12-13-21(14(3)4,15(5)6)16(7)8/h9-10,14-17H,1-2,11H2,3-8H3/t17-/m1/s1
InChIKeyDXDDLPWLKRILNB-QGZVFWFLSA-N
MW306.52 g/mol
LogP4.88
Rot. Bonds7

About [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate

[(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate (PubChem CID 6917464) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate.

Molecular Properties

Compound Name[(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate
PubChem CID6917464
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name[(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate
SMILESC=CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C=C
InChIInChI=1S/C18H30O2Si/c1-9-11-17(20-18(19)10-2)12-13-21(14(3)4,15(5)6)16(7)8/h9-10,14-17H,1-2,11H2,3-8H3/t17-/m1/s1
InChIKeyDXDDLPWLKRILNB-QGZVFWFLSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate?
The IUPAC name of [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate (CID 6917464) is [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate.
What is the SMILES notation for [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate?
The canonical SMILES for [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate is C=CC[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C=C.
What is the InChIKey of [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate?
The InChIKey is DXDDLPWLKRILNB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-9-11-17(20-18(19)10-2)12-13-21(14(3)4,15(5)6)16(7)8/h9-10,14-17H,1-2,11H2,3-8H3/t17-/m1/s1.
What are the key properties of [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate?
[(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate has a molecular weight of 306.52 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate is sourced from PubChem (CID 6917464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).