2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol

C18H36O2Si — CID 44556698

IUPAC2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol
SMILESC=CCC(CO)(CC=C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-9-11-18(13-19,12-10-2)14-20-21(15(3)4,16(5)6)17(7)8/h9-10,15-17,19H,1-2,11-14H2,3-8H3
InChIKeyIDGZEYOCLDAUMX-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.31
Rot. Bonds11

About 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol

2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol (PubChem CID 44556698) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol.

Molecular Properties

Compound Name2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol
PubChem CID44556698
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol
SMILESC=CCC(CO)(CC=C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-9-11-18(13-19,12-10-2)14-20-21(15(3)4,16(5)6)17(7)8/h9-10,15-17,19H,1-2,11-14H2,3-8H3
InChIKeyIDGZEYOCLDAUMX-UHFFFAOYSA-N
XLogP5.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol?
The IUPAC name of 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol (CID 44556698) is 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol.
What is the SMILES notation for 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol?
The canonical SMILES for 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol is C=CCC(CO)(CC=C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol?
The InChIKey is IDGZEYOCLDAUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-9-11-18(13-19,12-10-2)14-20-21(15(3)4,16(5)6)17(7)8/h9-10,15-17,19H,1-2,11-14H2,3-8H3.
What are the key properties of 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol?
2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-en-1-ol is sourced from PubChem (CID 44556698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).