(3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane

C14H31O3PSi — CID 174652061

IUPAC(3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane
SMILESCCCC1(OC)C(P)(CC)C(C)CC[Si]1(OC)OC
InChIInChI=1S/C14H31O3PSi/c1-7-10-14(15-4)13(18,8-2)12(3)9-11-19(14,16-5)17-6/h12H,7-11,18H2,1-6H3
InChIKeyFZMQJBTUWQHVOO-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.51
Rot. Bonds6

About (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane

(3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane (PubChem CID 174652061) has the molecular formula C14H31O3PSi and a molecular weight of 306.46 g/mol. Its IUPAC name is (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane.

Molecular Properties

Compound Name(3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane
PubChem CID174652061
Molecular FormulaC14H31O3PSi
Molecular Weight306.46 g/mol
Exact Mass306.18
IUPAC Name(3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane
SMILESCCCC1(OC)C(P)(CC)C(C)CC[Si]1(OC)OC
InChIInChI=1S/C14H31O3PSi/c1-7-10-14(15-4)13(18,8-2)12(3)9-11-19(14,16-5)17-6/h12H,7-11,18H2,1-6H3
InChIKeyFZMQJBTUWQHVOO-UHFFFAOYSA-N
XLogP3.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane?
The IUPAC name of (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane (CID 174652061) is (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane.
What is the SMILES notation for (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane?
The canonical SMILES for (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane is CCCC1(OC)C(P)(CC)C(C)CC[Si]1(OC)OC.
What is the InChIKey of (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane?
The InChIKey is FZMQJBTUWQHVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3PSi/c1-7-10-14(15-4)13(18,8-2)12(3)9-11-19(14,16-5)17-6/h12H,7-11,18H2,1-6H3.
What are the key properties of (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane?
(3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane has a molecular weight of 306.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,1,2-trimethoxy-4-methyl-2-propylsilinan-3-yl)phosphane is sourced from PubChem (CID 174652061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).