[(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane

C15H28O4Si — CID 139649649

IUPAC[(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane
SMILESC=C[C@H](C[C@@H](CC#C[Si](C)(C)C)OCOC)OCOC
InChIInChI=1S/C15H28O4Si/c1-7-14(18-12-16-2)11-15(19-13-17-3)9-8-10-20(4,5)6/h7,14-15H,1,9,11-13H2,2-6H3/t14-,15-/m1/s1
InChIKeyNFRGMMPCXMPRER-HUUCEWRRSA-N
MW300.47 g/mol
LogP2.81
Rot. Bonds10

About [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane

[(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane (PubChem CID 139649649) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane
PubChem CID139649649
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane
SMILESC=C[C@H](C[C@@H](CC#C[Si](C)(C)C)OCOC)OCOC
InChIInChI=1S/C15H28O4Si/c1-7-14(18-12-16-2)11-15(19-13-17-3)9-8-10-20(4,5)6/h7,14-15H,1,9,11-13H2,2-6H3/t14-,15-/m1/s1
InChIKeyNFRGMMPCXMPRER-HUUCEWRRSA-N
XLogP2.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane (CID 139649649) is [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane is C=C[C@H](C[C@@H](CC#C[Si](C)(C)C)OCOC)OCOC.
What is the InChIKey of [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane?
The InChIKey is NFRGMMPCXMPRER-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-7-14(18-12-16-2)11-15(19-13-17-3)9-8-10-20(4,5)6/h7,14-15H,1,9,11-13H2,2-6H3/t14-,15-/m1/s1.
What are the key properties of [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane?
[(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane has a molecular weight of 300.47 g/mol, XLogP of 2.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 139649649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).