4-ethylheptan-4-yloxy(prop-2-enyl)silane

C12H26OSi — CID 173174957

IUPAC4-ethylheptan-4-yloxy(prop-2-enyl)silane
SMILESC=CC[SiH2]OC(CC)(CCC)CCC
InChIInChI=1S/C12H26OSi/c1-5-9-12(8-4,10-6-2)13-14-11-7-3/h7H,3,5-6,8-11,14H2,1-2,4H3
InChIKeyCYJQPPOEVKISGZ-UHFFFAOYSA-N
MW214.42 g/mol
LogP3.44
Rot. Bonds9

About 4-ethylheptan-4-yloxy(prop-2-enyl)silane

4-ethylheptan-4-yloxy(prop-2-enyl)silane (PubChem CID 173174957) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 4-ethylheptan-4-yloxy(prop-2-enyl)silane.

Molecular Properties

Compound Name4-ethylheptan-4-yloxy(prop-2-enyl)silane
PubChem CID173174957
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name4-ethylheptan-4-yloxy(prop-2-enyl)silane
SMILESC=CC[SiH2]OC(CC)(CCC)CCC
InChIInChI=1S/C12H26OSi/c1-5-9-12(8-4,10-6-2)13-14-11-7-3/h7H,3,5-6,8-11,14H2,1-2,4H3
InChIKeyCYJQPPOEVKISGZ-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-ethylheptan-4-yloxy(prop-2-enyl)silane?
The IUPAC name of 4-ethylheptan-4-yloxy(prop-2-enyl)silane (CID 173174957) is 4-ethylheptan-4-yloxy(prop-2-enyl)silane.
What is the SMILES notation for 4-ethylheptan-4-yloxy(prop-2-enyl)silane?
The canonical SMILES for 4-ethylheptan-4-yloxy(prop-2-enyl)silane is C=CC[SiH2]OC(CC)(CCC)CCC.
What is the InChIKey of 4-ethylheptan-4-yloxy(prop-2-enyl)silane?
The InChIKey is CYJQPPOEVKISGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-5-9-12(8-4,10-6-2)13-14-11-7-3/h7H,3,5-6,8-11,14H2,1-2,4H3.
What are the key properties of 4-ethylheptan-4-yloxy(prop-2-enyl)silane?
4-ethylheptan-4-yloxy(prop-2-enyl)silane has a molecular weight of 214.42 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylheptan-4-yloxy(prop-2-enyl)silane is sourced from PubChem (CID 173174957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).