1,1-diethoxy-2,4-di(propan-2-yl)siletane

C13H28O2Si — CID 139888756

IUPAC1,1-diethoxy-2,4-di(propan-2-yl)siletane
SMILESCCO[Si]1(OCC)C(C(C)C)CC1C(C)C
InChIInChI=1S/C13H28O2Si/c1-7-14-16(15-8-2)12(10(3)4)9-13(16)11(5)6/h10-13H,7-9H2,1-6H3
InChIKeyBRPKUDWZWWDQLV-UHFFFAOYSA-N
MW244.45 g/mol
LogP3.96
Rot. Bonds6

About 1,1-diethoxy-2,4-di(propan-2-yl)siletane

1,1-diethoxy-2,4-di(propan-2-yl)siletane (PubChem CID 139888756) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 1,1-diethoxy-2,4-di(propan-2-yl)siletane.

Molecular Properties

Compound Name1,1-diethoxy-2,4-di(propan-2-yl)siletane
PubChem CID139888756
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name1,1-diethoxy-2,4-di(propan-2-yl)siletane
SMILESCCO[Si]1(OCC)C(C(C)C)CC1C(C)C
InChIInChI=1S/C13H28O2Si/c1-7-14-16(15-8-2)12(10(3)4)9-13(16)11(5)6/h10-13H,7-9H2,1-6H3
InChIKeyBRPKUDWZWWDQLV-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.96
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 1,1-diethoxy-2,4-di(propan-2-yl)siletane?
The IUPAC name of 1,1-diethoxy-2,4-di(propan-2-yl)siletane (CID 139888756) is 1,1-diethoxy-2,4-di(propan-2-yl)siletane.
What is the SMILES notation for 1,1-diethoxy-2,4-di(propan-2-yl)siletane?
The canonical SMILES for 1,1-diethoxy-2,4-di(propan-2-yl)siletane is CCO[Si]1(OCC)C(C(C)C)CC1C(C)C.
What is the InChIKey of 1,1-diethoxy-2,4-di(propan-2-yl)siletane?
The InChIKey is BRPKUDWZWWDQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-14-16(15-8-2)12(10(3)4)9-13(16)11(5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 1,1-diethoxy-2,4-di(propan-2-yl)siletane?
1,1-diethoxy-2,4-di(propan-2-yl)siletane has a molecular weight of 244.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2,4-di(propan-2-yl)siletane is sourced from PubChem (CID 139888756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).