(2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane

C14H30S2Si — CID 100961601

IUPAC(2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C1(C)SCCCS1
InChIInChI=1S/C14H30S2Si/c1-11(2)17(12(3)4,13(5)6)14(7)15-9-8-10-16-14/h11-13H,8-10H2,1-7H3
InChIKeySJOYTSRQSKIYQP-UHFFFAOYSA-N
MW290.61 g/mol
LogP5.79
Rot. Bonds4

About (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane

(2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane (PubChem CID 100961601) has the molecular formula C14H30S2Si and a molecular weight of 290.61 g/mol. Its IUPAC name is (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane
PubChem CID100961601
Molecular FormulaC14H30S2Si
Molecular Weight290.61 g/mol
Exact Mass290.16
IUPAC Name(2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C1(C)SCCCS1
InChIInChI=1S/C14H30S2Si/c1-11(2)17(12(3)4,13(5)6)14(7)15-9-8-10-16-14/h11-13H,8-10H2,1-7H3
InChIKeySJOYTSRQSKIYQP-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.61
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane?
The IUPAC name of (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane (CID 100961601) is (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)C1(C)SCCCS1.
What is the InChIKey of (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane?
The InChIKey is SJOYTSRQSKIYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30S2Si/c1-11(2)17(12(3)4,13(5)6)14(7)15-9-8-10-16-14/h11-13H,8-10H2,1-7H3.
What are the key properties of (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane?
(2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane has a molecular weight of 290.61 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dithian-2-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 100961601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).