2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol

C15H30O2Si — CID 11254248

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol
SMILESCC#CCCC(C)(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-9-10-11-15(5,12-16)13-17-18(6,7)14(2,3)4/h16H,10-13H2,1-7H3
InChIKeyBHPLQNLKRXETCX-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.81
Rot. Bonds6

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol (PubChem CID 11254248) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol
PubChem CID11254248
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol
SMILESCC#CCCC(C)(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-9-10-11-15(5,12-16)13-17-18(6,7)14(2,3)4/h16H,10-13H2,1-7H3
InChIKeyBHPLQNLKRXETCX-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 11736971
(3R)-4,4-dimethyl-1-trimethylsilylpentane-1,3-diol
CID 12193382
4,4-Dimethyl-1-trimethylsilylpentane-1,3-diol
CID 86069072
8-{[Tert-butyl(dimethyl)silyl]oxy}-3-octyn-1-OL
CID 99772872
9-[Tert-butyl(dimethyl)silyl]oxynon-5-yn-1-ol
CID 101416409
lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 134892553
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-1-yn-3-ol
CID 134972323
(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol
CID 135079167
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol
CID 164668678

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol (CID 11254248) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol is CC#CCCC(C)(CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol?
The InChIKey is BHPLQNLKRXETCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-9-10-11-15(5,12-16)13-17-18(6,7)14(2,3)4/h16H,10-13H2,1-7H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol has a molecular weight of 270.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol is sourced from PubChem (CID 11254248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).