2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one

C19H34O3Si2 — CID 53381849

IUPAC2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one
SMILESC=CCCC(C#C[Si](C)(C)C)(OC)C1(O[Si](C)(C)C)CCCC1=O
InChIInChI=1S/C19H34O3Si2/c1-9-10-13-18(21-2,15-16-23(3,4)5)19(22-24(6,7)8)14-11-12-17(19)20/h9H,1,10-14H2,2-8H3
InChIKeyQPGNLYIKLFKOGW-UHFFFAOYSA-N
MW366.65 g/mol
LogP4.56
Rot. Bonds7

About 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one

2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one (PubChem CID 53381849) has the molecular formula C19H34O3Si2 and a molecular weight of 366.65 g/mol. Its IUPAC name is 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one.

Molecular Properties

Compound Name2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one
PubChem CID53381849
Molecular FormulaC19H34O3Si2
Molecular Weight366.65 g/mol
Exact Mass366.20
IUPAC Name2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one
SMILESC=CCCC(C#C[Si](C)(C)C)(OC)C1(O[Si](C)(C)C)CCCC1=O
InChIInChI=1S/C19H34O3Si2/c1-9-10-13-18(21-2,15-16-23(3,4)5)19(22-24(6,7)8)14-11-12-17(19)20/h9H,1,10-14H2,2-8H3
InChIKeyQPGNLYIKLFKOGW-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one?
The IUPAC name of 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one (CID 53381849) is 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one.
What is the SMILES notation for 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one?
The canonical SMILES for 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one is C=CCCC(C#C[Si](C)(C)C)(OC)C1(O[Si](C)(C)C)CCCC1=O.
What is the InChIKey of 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one?
The InChIKey is QPGNLYIKLFKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3Si2/c1-9-10-13-18(21-2,15-16-23(3,4)5)19(22-24(6,7)8)14-11-12-17(19)20/h9H,1,10-14H2,2-8H3.
What are the key properties of 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one?
2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one has a molecular weight of 366.65 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1-trimethylsilylhept-6-en-1-yn-3-yl)-2-trimethylsilyloxycyclopentan-1-one is sourced from PubChem (CID 53381849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).