2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol

C12H26OSi — CID 10987643

IUPAC2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
SMILESC=C(CC(O)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C12H26OSi/c1-10(9-14(5,6)7)8-11(13)12(2,3)4/h11,13H,1,8-9H2,2-7H3
InChIKeyZQATYENLHULUCF-UHFFFAOYSA-N
MW214.42 g/mol
LogP3.68
Rot. Bonds4

About 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol

2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol (PubChem CID 10987643) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
PubChem CID10987643
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
SMILESC=C(CC(O)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C12H26OSi/c1-10(9-14(5,6)7)8-11(13)12(2,3)4/h11,13H,1,8-9H2,2-7H3
InChIKeyZQATYENLHULUCF-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(1R)-1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11183924
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
CID 15498298
6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 74936160
(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine
CID 101252606
trimethyl-(2-methylidene-4-phenylpentyl)silane
CID 86100682
1-[(2R)-4-(trimethylsilylmethyl)pent-4-en-2-yl]piperidine-2,6-dione
CID 10880073
trichloro-[2-(trimethylsilylmethyl)prop-2-enyl]silane
CID 134961529
1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol
CID 15527869
(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol
CID 11197489
(3R)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197450
(E)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-ol
CID 10608115
dichlorotitanium;bis(5-hydroxy-2,2,6,6-tetramethylheptan-3-one)
CID 11156044

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The IUPAC name of 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol (CID 10987643) is 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol.
What is the SMILES notation for 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The canonical SMILES for 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol is C=C(CC(O)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The InChIKey is ZQATYENLHULUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-10(9-14(5,6)7)8-11(13)12(2,3)4/h11,13H,1,8-9H2,2-7H3.
What are the key properties of 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?
2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol has a molecular weight of 214.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol is sourced from PubChem (CID 10987643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).