2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol

C17H36O2Si — CID 86050315

IUPAC2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol
SMILESC=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(O)CCCC
InChIInChI=1S/C17H36O2Si/c1-9-10-11-17(18)16(8)12-19-20(13(2)3,14(4)5)15(6)7/h13-15,17-18H,8-12H2,1-7H3
InChIKeyQBLWEBXPIQKFME-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.29
Rot. Bonds10

About 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol

2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol (PubChem CID 86050315) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol.

Molecular Properties

Compound Name2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol
PubChem CID86050315
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol
SMILESC=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(O)CCCC
InChIInChI=1S/C17H36O2Si/c1-9-10-11-17(18)16(8)12-19-20(13(2)3,14(4)5)15(6)7/h13-15,17-18H,8-12H2,1-7H3
InChIKeyQBLWEBXPIQKFME-UHFFFAOYSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.29
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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Related Compounds

(3-hydroxy-2-methylidenenonyl) acetate
CID 101045153
(3R)-3-methyl-2-[(2-methylpropan-2-yl)oxy]hept-1-ene
CID 118569638
(4R)-4-methyl-3-methylideneoctane
CID 10820618
N-fluoro-2-hydroxyhexanamide
CID 174941191
1-pent-1-en-2-yloxypropan-1-ol
CID 141336115
hexan-2-ol;zirconium
CID 174835617
5-ethyl-2,4-dimethylnon-1-ene
CID 145461999
3-methylheptane;nickel
CID 158967838
methyl 2-tri(propan-2-yl)silyloxyacetate
CID 10377278
2-methyloct-1-ene-1,3-diol
CID 173308753
(2R)-2-hydroxyhexanoic acid
CID 6995511
3-(4-methylpenta-1,4-dien-2-yloxymethyl)heptane
CID 88563765

Frequently Asked Questions

What is the IUPAC name of 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol?
The IUPAC name of 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol (CID 86050315) is 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol.
What is the SMILES notation for 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol?
The canonical SMILES for 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol is C=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(O)CCCC.
What is the InChIKey of 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol?
The InChIKey is QBLWEBXPIQKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-9-10-11-17(18)16(8)12-19-20(13(2)3,14(4)5)15(6)7/h13-15,17-18H,8-12H2,1-7H3.
What are the key properties of 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol?
2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol has a molecular weight of 300.56 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tri(propan-2-yl)silyloxymethyl]hept-1-en-3-ol is sourced from PubChem (CID 86050315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).