2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C23H46O4Si4 — CID 173067577

IUPAC2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCC1=C(CCC)C(CCC)(C(C)=C(CC)[SiH]2O[SiH2]O[SiH2]O[SiH2]O2)C(C)C(C)=C1C
InChIInChI=1S/C23H46O4Si4/c1-9-13-20-17(6)16(5)18(7)23(15-11-3,21(20)14-10-2)19(8)22(12-4)31-26-29-24-28-25-30-27-31/h18,31H,9-15,28-30H2,1-8H3
InChIKeyIUJWTBLPZYCHGW-UHFFFAOYSA-N
MW498.96 g/mol
LogP4.22
Rot. Bonds9

About 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 173067577) has the molecular formula C23H46O4Si4 and a molecular weight of 498.96 g/mol. Its IUPAC name is 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID173067577
Molecular FormulaC23H46O4Si4
Molecular Weight498.96 g/mol
Exact Mass498.25
IUPAC Name2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCC1=C(CCC)C(CCC)(C(C)=C(CC)[SiH]2O[SiH2]O[SiH2]O[SiH2]O2)C(C)C(C)=C1C
InChIInChI=1S/C23H46O4Si4/c1-9-13-20-17(6)16(5)18(7)23(15-11-3,21(20)14-10-2)19(8)22(12-4)31-26-29-24-28-25-30-27-31/h18,31H,9-15,28-30H2,1-8H3
InChIKeyIUJWTBLPZYCHGW-UHFFFAOYSA-N
XLogP4.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.96
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 173067577) is 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCC1=C(CCC)C(CCC)(C(C)=C(CC)[SiH]2O[SiH2]O[SiH2]O[SiH2]O2)C(C)C(C)=C1C.
What is the InChIKey of 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is IUJWTBLPZYCHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4Si4/c1-9-13-20-17(6)16(5)18(7)23(15-11-3,21(20)14-10-2)19(8)22(12-4)31-26-29-24-28-25-30-27-31/h18,31H,9-15,28-30H2,1-8H3.
What are the key properties of 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 498.96 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5,6-trimethyl-1,2,3-tripropylcyclohexa-2,4-dien-1-yl)pent-2-en-3-yl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 173067577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).