(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol

C18H40O3Si2 — CID 11089718

IUPAC(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol
SMILESC=C(CO)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-15(13-19)12-16(21-23(10,11)18(5,6)7)14-20-22(8,9)17(2,3)4/h16,19H,1,12-14H2,2-11H3/t16-/m0/s1
InChIKeyHZEWKBBGLAUDSH-INIZCTEOSA-N
MW360.69 g/mol
LogP5.34
Rot. Bonds8

About (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol

(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol (PubChem CID 11089718) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol.

Molecular Properties

Compound Name(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol
PubChem CID11089718
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol
SMILESC=C(CO)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-15(13-19)12-16(21-23(10,11)18(5,6)7)14-20-22(8,9)17(2,3)4/h16,19H,1,12-14H2,2-11H3/t16-/m0/s1
InChIKeyHZEWKBBGLAUDSH-INIZCTEOSA-N
XLogP5.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.34
H-Bond Donors ≤ 51
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 (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol?
The IUPAC name of (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol (CID 11089718) is (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol.
What is the SMILES notation for (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol?
The canonical SMILES for (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol is C=C(CO)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol?
The InChIKey is HZEWKBBGLAUDSH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-15(13-19)12-16(21-23(10,11)18(5,6)7)14-20-22(8,9)17(2,3)4/h16,19H,1,12-14H2,2-11H3/t16-/m0/s1.
What are the key properties of (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol?
(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol has a molecular weight of 360.69 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenepentan-1-ol is sourced from PubChem (CID 11089718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).