triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane

C16H32O3Si — CID 18606875

IUPACtriethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane
SMILESCCO[Si](OCC)(OCC)[C@@]1(C(C)C)CC=C(C)CC1
InChIInChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)16(14(4)5)12-10-15(6)11-13-16/h10,14H,7-9,11-13H2,1-6H3/t16-/m0/s1
InChIKeyMGLHHDAQJVNIKM-INIZCTEOSA-N
MW300.51 g/mol
LogP4.56
Rot. Bonds8

About triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane

triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane (PubChem CID 18606875) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane.

Molecular Properties

Compound Nametriethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane
PubChem CID18606875
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametriethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane
SMILESCCO[Si](OCC)(OCC)[C@@]1(C(C)C)CC=C(C)CC1
InChIInChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)16(14(4)5)12-10-15(6)11-13-16/h10,14H,7-9,11-13H2,1-6H3/t16-/m0/s1
InChIKeyMGLHHDAQJVNIKM-INIZCTEOSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane?
The IUPAC name of triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane (CID 18606875) is triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane.
What is the SMILES notation for triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane?
The canonical SMILES for triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane is CCO[Si](OCC)(OCC)[C@@]1(C(C)C)CC=C(C)CC1.
What is the InChIKey of triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane?
The InChIKey is MGLHHDAQJVNIKM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)16(14(4)5)12-10-15(6)11-13-16/h10,14H,7-9,11-13H2,1-6H3/t16-/m0/s1.
What are the key properties of triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane?
triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane has a molecular weight of 300.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]silane is sourced from PubChem (CID 18606875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).