2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

C30H70O5Si5 — CID 23085009

IUPAC2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C30H70O5Si5/c1-21(2)36(22(3)4)31-37(23(5)6,24(7)8)33-39(27(13)14,28(15)16)35-40(29(17)18,30(19)20)34-38(32-36,25(9)10)26(11)12/h21-30H,1-20H3
InChIKeyHTOJSFFPWJSBPN-UHFFFAOYSA-N
MW651.31 g/mol
LogP11.39
Rot. Bonds10

About 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (PubChem CID 23085009) has the molecular formula C30H70O5Si5 and a molecular weight of 651.31 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
PubChem CID23085009
Molecular FormulaC30H70O5Si5
Molecular Weight651.31 g/mol
Exact Mass650.41
IUPAC Name2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C30H70O5Si5/c1-21(2)36(22(3)4)31-37(23(5)6,24(7)8)33-39(27(13)14,28(15)16)35-40(29(17)18,30(19)20)34-38(32-36,25(9)10)26(11)12/h21-30H,1-20H3
InChIKeyHTOJSFFPWJSBPN-UHFFFAOYSA-N
XLogP11.39
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.31
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (CID 23085009) is 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is CC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The InChIKey is HTOJSFFPWJSBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70O5Si5/c1-21(2)36(22(3)4)31-37(23(5)6,24(7)8)33-39(27(13)14,28(15)16)35-40(29(17)18,30(19)20)34-38(32-36,25(9)10)26(11)12/h21-30H,1-20H3.
What are the key properties of 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane has a molecular weight of 651.31 g/mol, XLogP of 11.39, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is sourced from PubChem (CID 23085009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).