triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane

C19H36O3Si — CID 140743087

IUPACtriethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane
SMILESC=CC[C@]1(C)OC2(CCCCC2)OCC1O[Si](CC)(CC)CC
InChIInChI=1S/C19H36O3Si/c1-6-13-18(5)17(21-23(7-2,8-3)9-4)16-20-19(22-18)14-11-10-12-15-19/h6,17H,1,7-16H2,2-5H3/t17?,18-/m0/s1
InChIKeyVIGRNQVFZVCVDE-ZVAWYAOSSA-N
MW340.58 g/mol
LogP5.42
Rot. Bonds7

About triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane

triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane (PubChem CID 140743087) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane
PubChem CID140743087
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nametriethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane
SMILESC=CC[C@]1(C)OC2(CCCCC2)OCC1O[Si](CC)(CC)CC
InChIInChI=1S/C19H36O3Si/c1-6-13-18(5)17(21-23(7-2,8-3)9-4)16-20-19(22-18)14-11-10-12-15-19/h6,17H,1,7-16H2,2-5H3/t17?,18-/m0/s1
InChIKeyVIGRNQVFZVCVDE-ZVAWYAOSSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.42
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 triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane?
The IUPAC name of triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane (CID 140743087) is triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane?
The canonical SMILES for triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane is C=CC[C@]1(C)OC2(CCCCC2)OCC1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane?
The InChIKey is VIGRNQVFZVCVDE-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-6-13-18(5)17(21-23(7-2,8-3)9-4)16-20-19(22-18)14-11-10-12-15-19/h6,17H,1,7-16H2,2-5H3/t17?,18-/m0/s1.
What are the key properties of triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane?
triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane has a molecular weight of 340.58 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane is sourced from PubChem (CID 140743087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).