5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol

C12H26O2Si — CID 56849812

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol
SMILESC=C(CCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(7-9-13)8-10-14-15(5,6)12(2,3)4/h13H,1,7-10H2,2-6H3
InChIKeyUJEWGHHGLPKYBM-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.34
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol

5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol (PubChem CID 56849812) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol
PubChem CID56849812
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol
SMILESC=C(CCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(7-9-13)8-10-14-15(5,6)12(2,3)4/h13H,1,7-10H2,2-6H3
InChIKeyUJEWGHHGLPKYBM-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.34
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

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 10946141
4-(Trimethylsilylmethyl)pent-4-en-1-ol
CID 10975961
4-(Trimethylsilylmethyl)hexa-4,5-dien-1-ol
CID 101809715
Silane, dimethyl(3-methylbut-3-enyloxy)pentyloxy-
CID 91726713
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-ol
CID 11458884
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]but-3-en-1-ol
CID 135040003
(E)-3-methyl-4-trimethylsilylbut-3-en-1-ol
CID 6381701
4-(Tert-butyldimethylsilyloxy)-2-methylene-butan-1-ol
CID 11218203
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylidenehexan-1-ol
CID 58667950
4-Methyl-1-triethoxysilylpent-4-en-1-ol
CID 87112371
3-Methyl-1-trimethylsilylbut-3-en-1-ol
CID 169224780
3-Methyl-4-trimethylsilylbut-3-en-1-ol
CID 357840

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol (CID 56849812) is 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol is C=C(CCO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol?
The InChIKey is UJEWGHHGLPKYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-11(7-9-13)8-10-14-15(5,6)12(2,3)4/h13H,1,7-10H2,2-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol?
5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol has a molecular weight of 230.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentan-1-ol is sourced from PubChem (CID 56849812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).