[2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate

C20H37NO4Si — CID 175605042

IUPAC[2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate
SMILESCC(C)[Si](C=CC=CC1(OC(N)=O)COC(C)(C)OC1)(C(C)C)C(C)C
InChIInChI=1S/C20H37NO4Si/c1-15(2)26(16(3)4,17(5)6)12-10-9-11-20(25-18(21)22)13-23-19(7,8)24-14-20/h9-12,15-17H,13-14H2,1-8H3,(H2,21,22)
InChIKeyLFUVKLXELDQECK-UHFFFAOYSA-N
MW383.61 g/mol
LogP4.93
Rot. Bonds7

About [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate

[2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate (PubChem CID 175605042) has the molecular formula C20H37NO4Si and a molecular weight of 383.61 g/mol. Its IUPAC name is [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate
PubChem CID175605042
Molecular FormulaC20H37NO4Si
Molecular Weight383.61 g/mol
Exact Mass383.25
IUPAC Name[2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate
SMILESCC(C)[Si](C=CC=CC1(OC(N)=O)COC(C)(C)OC1)(C(C)C)C(C)C
InChIInChI=1S/C20H37NO4Si/c1-15(2)26(16(3)4,17(5)6)12-10-9-11-20(25-18(21)22)13-23-19(7,8)24-14-20/h9-12,15-17H,13-14H2,1-8H3,(H2,21,22)
InChIKeyLFUVKLXELDQECK-UHFFFAOYSA-N
XLogP4.93
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate?
The IUPAC name of [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate (CID 175605042) is [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate is CC(C)[Si](C=CC=CC1(OC(N)=O)COC(C)(C)OC1)(C(C)C)C(C)C.
What is the InChIKey of [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate?
The InChIKey is LFUVKLXELDQECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4Si/c1-15(2)26(16(3)4,17(5)6)12-10-9-11-20(25-18(21)22)13-23-19(7,8)24-14-20/h9-12,15-17H,13-14H2,1-8H3,(H2,21,22).
What are the key properties of [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate?
[2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate has a molecular weight of 383.61 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-5-[4-tri(propan-2-yl)silylbuta-1,3-dienyl]-1,3-dioxan-5-yl] carbamate is sourced from PubChem (CID 175605042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).