3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane

C20H38O3Si — CID 168866141

IUPAC3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane
SMILESC=CCC(CC=C)(CC=C)CC[Si](OCC)(OCC)OC(C)CC
InChIInChI=1S/C20H38O3Si/c1-8-14-20(15-9-2,16-10-3)17-18-24(21-12-5,22-13-6)23-19(7)11-4/h8-10,19H,1-3,11-18H2,4-7H3
InChIKeyLLHNXRMQWKNWOS-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.92
Rot. Bonds16

About 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane

3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane (PubChem CID 168866141) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane.

Molecular Properties

Compound Name3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane
PubChem CID168866141
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane
SMILESC=CCC(CC=C)(CC=C)CC[Si](OCC)(OCC)OC(C)CC
InChIInChI=1S/C20H38O3Si/c1-8-14-20(15-9-2,16-10-3)17-18-24(21-12-5,22-13-6)23-19(7)11-4/h8-10,19H,1-3,11-18H2,4-7H3
InChIKeyLLHNXRMQWKNWOS-UHFFFAOYSA-N
XLogP5.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane?
The IUPAC name of 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane (CID 168866141) is 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane.
What is the SMILES notation for 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane?
The canonical SMILES for 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane is C=CCC(CC=C)(CC=C)CC[Si](OCC)(OCC)OC(C)CC.
What is the InChIKey of 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane?
The InChIKey is LLHNXRMQWKNWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-8-14-20(15-9-2,16-10-3)17-18-24(21-12-5,22-13-6)23-19(7)11-4/h8-10,19H,1-3,11-18H2,4-7H3.
What are the key properties of 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane?
3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane has a molecular weight of 354.61 g/mol, XLogP of 5.92, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enyl)hex-5-enyl-butan-2-yloxy-diethoxysilane is sourced from PubChem (CID 168866141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).