methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate

C18H32O2Si — CID 102322023

IUPACmethyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC(=O)OC
InChIInChI=1S/C18H32O2Si/c1-14(2)21(15(3)4,16(5)6)13-12-17(7)10-9-11-18(19)20-8/h14-16H,7,9-11H2,1-6,8H3
InChIKeyBVZOLYXWPNEWCZ-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.11
Rot. Bonds7

About methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate

methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate (PubChem CID 102322023) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate.

Molecular Properties

Compound Namemethyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate
PubChem CID102322023
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Namemethyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC(=O)OC
InChIInChI=1S/C18H32O2Si/c1-14(2)21(15(3)4,16(5)6)13-12-17(7)10-9-11-18(19)20-8/h14-16H,7,9-11H2,1-6,8H3
InChIKeyBVZOLYXWPNEWCZ-UHFFFAOYSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate?
The IUPAC name of methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate (CID 102322023) is methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate.
What is the SMILES notation for methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate?
The canonical SMILES for methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate is C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC(=O)OC.
What is the InChIKey of methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate?
The InChIKey is BVZOLYXWPNEWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-14(2)21(15(3)4,16(5)6)13-12-17(7)10-9-11-18(19)20-8/h14-16H,7,9-11H2,1-6,8H3.
What are the key properties of methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate?
methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate has a molecular weight of 308.54 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylidene-7-tri(propan-2-yl)silylhept-6-ynoate is sourced from PubChem (CID 102322023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).