trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane

C21H38O2Si — CID 10871827

IUPACtrimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane
SMILESC[Si](C)(C)C#CCCCC/C=C\CCCCCOC1CCCCO1
InChIInChI=1S/C21H38O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h4-5,21H,6-15,17-19H2,1-3H3/b5-4-
InChIKeyCTRMSNOFJLKDAN-PLNGDYQASA-N
MW350.62 g/mol
LogP6.09
Rot. Bonds11

About trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane

trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane (PubChem CID 10871827) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane
PubChem CID10871827
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Nametrimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane
SMILESC[Si](C)(C)C#CCCCC/C=C\CCCCCOC1CCCCO1
InChIInChI=1S/C21H38O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h4-5,21H,6-15,17-19H2,1-3H3/b5-4-
InChIKeyCTRMSNOFJLKDAN-PLNGDYQASA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

(8Z,11Z)-1-(tetrahydropyran-2-yloxy)-8,11-tetradecadien-3-yne
CID 10989926
2-[(E)-dodec-5-en-7-ynoxy]oxane
CID 12819518
trimethyl-[(Z)-6-(oxan-2-yloxy)hex-2-enyl]silane
CID 15103855
Tetrahydro-2-[(13Z)-13-octadecen-3-yn-1-yloxy]-2H-pyran
CID 11121614
2-[(E)-heptadec-6-en-8-ynoxy]oxane
CID 11450469
trimethyl-[2-[(5Z)-5-[4-(oxan-2-yloxy)but-2-ynylidene]cyclopenten-1-yl]ethynyl]silane
CID 15109366
2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane
CID 19688869
1-Tetrahydropyranyloxy-7-tridecen-4-yne
CID 129775928
1-Tetrahydropyranoxy-(z)-7-tridecene-4-yne
CID 129776456
(z)-1-(Tetrahydropyranyloxy)-hexadec-7,13-diyn-11-ene
CID 129866761
Dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane
CID 134885323
2-[(E)-tetradec-5-en-2,8-diynoxy]oxane
CID 134977547

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane (CID 10871827) is trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane is C[Si](C)(C)C#CCCCC/C=C\CCCCCOC1CCCCO1.
What is the InChIKey of trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane?
The InChIKey is CTRMSNOFJLKDAN-PLNGDYQASA-N. The full InChI is InChI=1S/C21H38O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h4-5,21H,6-15,17-19H2,1-3H3/b5-4-.
What are the key properties of trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane?
trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane has a molecular weight of 350.62 g/mol, XLogP of 6.09, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-13-(oxan-2-yloxy)tridec-7-en-1-ynyl]silane is sourced from PubChem (CID 10871827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).