triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane

C16H32O3Si — CID 124629998

IUPACtriethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane
SMILESCCO[Si](C[C@H](C)[C@H]1CC=C(C)CC1)(OCC)OCC
InChIInChI=1S/C16H32O3Si/c1-6-17-20(18-7-2,19-8-3)13-15(5)16-11-9-14(4)10-12-16/h9,15-16H,6-8,10-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyQSJQEWOGRMLNMY-HOTGVXAUSA-N
MW300.51 g/mol
LogP4.42
Rot. Bonds9

About triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane

triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane (PubChem CID 124629998) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane
PubChem CID124629998
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametriethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane
SMILESCCO[Si](C[C@H](C)[C@H]1CC=C(C)CC1)(OCC)OCC
InChIInChI=1S/C16H32O3Si/c1-6-17-20(18-7-2,19-8-3)13-15(5)16-11-9-14(4)10-12-16/h9,15-16H,6-8,10-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyQSJQEWOGRMLNMY-HOTGVXAUSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.42
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-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane?
The IUPAC name of triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane (CID 124629998) is triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane.
What is the SMILES notation for triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane?
The canonical SMILES for triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane is CCO[Si](C[C@H](C)[C@H]1CC=C(C)CC1)(OCC)OCC.
What is the InChIKey of triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane?
The InChIKey is QSJQEWOGRMLNMY-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-6-17-20(18-7-2,19-8-3)13-15(5)16-11-9-14(4)10-12-16/h9,15-16H,6-8,10-13H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane?
triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane has a molecular weight of 300.51 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane is sourced from PubChem (CID 124629998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).