[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane

C18H32O3Si — CID 45113084

IUPAC[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC=CCC1=C(O[Si](C)(C)C)C[C@H](C)C[C@H]1CCC1OCCO1
InChIInChI=1S/C18H32O3Si/c1-6-7-16-15(8-9-18-19-10-11-20-18)12-14(2)13-17(16)21-22(3,4)5/h6,14-15,18H,1,7-13H2,2-5H3/t14-,15-/m1/s1
InChIKeyACBBGJNXFPHMMJ-HUUCEWRRSA-N
MW324.54 g/mol
LogP4.87
Rot. Bonds7

About [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane

[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 45113084) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID45113084
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC=CCC1=C(O[Si](C)(C)C)C[C@H](C)C[C@H]1CCC1OCCO1
InChIInChI=1S/C18H32O3Si/c1-6-7-16-15(8-9-18-19-10-11-20-18)12-14(2)13-17(16)21-22(3,4)5/h6,14-15,18H,1,7-13H2,2-5H3/t14-,15-/m1/s1
InChIKeyACBBGJNXFPHMMJ-HUUCEWRRSA-N
XLogP4.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.87
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 [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane (CID 45113084) is [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane is C=CCC1=C(O[Si](C)(C)C)C[C@H](C)C[C@H]1CCC1OCCO1.
What is the InChIKey of [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is ACBBGJNXFPHMMJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-6-7-16-15(8-9-18-19-10-11-20-18)12-14(2)13-17(16)21-22(3,4)5/h6,14-15,18H,1,7-13H2,2-5H3/t14-,15-/m1/s1.
What are the key properties of [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane?
[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 324.54 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 45113084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).