tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane

C16H30OSi — CID 10515931

IUPACtert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane
SMILESC#CCC1CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H30OSi/c1-7-8-14-9-11-15(12-10-14)13-17-18(5,6)16(2,3)4/h1,14-15H,8-13H2,2-6H3
InChIKeyXFLAYWXTUFAZMQ-UHFFFAOYSA-N
MW266.50 g/mol
LogP4.84
Rot. Bonds4

About tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane

tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane (PubChem CID 10515931) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane
PubChem CID10515931
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane
SMILESC#CCC1CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H30OSi/c1-7-8-14-9-11-15(12-10-14)13-17-18(5,6)16(2,3)4/h1,14-15H,8-13H2,2-6H3
InChIKeyXFLAYWXTUFAZMQ-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.84
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 tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane (CID 10515931) is tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane is C#CCC1CCC(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane?
The InChIKey is XFLAYWXTUFAZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-7-8-14-9-11-15(12-10-14)13-17-18(5,6)16(2,3)4/h1,14-15H,8-13H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane?
tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane has a molecular weight of 266.50 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4-prop-2-ynylcyclohexyl)methoxy]silane is sourced from PubChem (CID 10515931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).