trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane

C16H28OSi — CID 10901499

IUPACtrimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane
SMILESC=CCC1(OC(C)C#C[Si](C)(C)C)CCCCC1
InChIInChI=1S/C16H28OSi/c1-6-11-16(12-8-7-9-13-16)17-15(2)10-14-18(3,4)5/h6,15H,1,7-9,11-13H2,2-5H3
InChIKeyYBFJZXBAJFBNFE-UHFFFAOYSA-N
MW264.49 g/mol
LogP4.55
Rot. Bonds4

About trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane

trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane (PubChem CID 10901499) has the molecular formula C16H28OSi and a molecular weight of 264.49 g/mol. Its IUPAC name is trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane
PubChem CID10901499
Molecular FormulaC16H28OSi
Molecular Weight264.49 g/mol
Exact Mass264.19
IUPAC Nametrimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane
SMILESC=CCC1(OC(C)C#C[Si](C)(C)C)CCCCC1
InChIInChI=1S/C16H28OSi/c1-6-11-16(12-8-7-9-13-16)17-15(2)10-14-18(3,4)5/h6,15H,1,7-9,11-13H2,2-5H3
InChIKeyYBFJZXBAJFBNFE-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane?
The IUPAC name of trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane (CID 10901499) is trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane is C=CCC1(OC(C)C#C[Si](C)(C)C)CCCCC1.
What is the InChIKey of trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane?
The InChIKey is YBFJZXBAJFBNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-6-11-16(12-8-7-9-13-16)17-15(2)10-14-18(3,4)5/h6,15H,1,7-9,11-13H2,2-5H3.
What are the key properties of trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane?
trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane has a molecular weight of 264.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(1-prop-2-enylcyclohexyl)oxybut-1-ynyl]silane is sourced from PubChem (CID 10901499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).