3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane

C15H26OSi — CID 59227494

IUPAC3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane
SMILESCC(C)[SiH](OCC#CC1=CCCCC1)C(C)C
InChIInChI=1S/C15H26OSi/c1-13(2)17(14(3)4)16-12-8-11-15-9-6-5-7-10-15/h9,13-14,17H,5-7,10,12H2,1-4H3
InChIKeyRVXPVNIAAJGXPW-UHFFFAOYSA-N
MW250.46 g/mol
LogP4.05
Rot. Bonds4

About 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane

3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane (PubChem CID 59227494) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane
PubChem CID59227494
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane
SMILESCC(C)[SiH](OCC#CC1=CCCCC1)C(C)C
InChIInChI=1S/C15H26OSi/c1-13(2)17(14(3)4)16-12-8-11-15-9-6-5-7-10-15/h9,13-14,17H,5-7,10,12H2,1-4H3
InChIKeyRVXPVNIAAJGXPW-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane?
The IUPAC name of 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane (CID 59227494) is 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane.
What is the SMILES notation for 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane?
The canonical SMILES for 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane is CC(C)[SiH](OCC#CC1=CCCCC1)C(C)C.
What is the InChIKey of 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane?
The InChIKey is RVXPVNIAAJGXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-13(2)17(14(3)4)16-12-8-11-15-9-6-5-7-10-15/h9,13-14,17H,5-7,10,12H2,1-4H3.
What are the key properties of 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane?
3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane has a molecular weight of 250.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)prop-2-ynoxy-di(propan-2-yl)silane is sourced from PubChem (CID 59227494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).