2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol

C13H28OSi — CID 101441764

IUPAC2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol
SMILESCCCCC(/C=C\[Si](C)(C)C)C(C)(C)O
InChIInChI=1S/C13H28OSi/c1-7-8-9-12(13(2,3)14)10-11-15(4,5)6/h10-12,14H,7-9H2,1-6H3/b11-10-
InChIKeyNOOASQYNUCDXJG-KHPPLWFESA-N
MW228.45 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol

2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol (PubChem CID 101441764) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol
PubChem CID101441764
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol
SMILESCCCCC(/C=C\[Si](C)(C)C)C(C)(C)O
InChIInChI=1S/C13H28OSi/c1-7-8-9-12(13(2,3)14)10-11-15(4,5)6/h10-12,14H,7-9H2,1-6H3/b11-10-
InChIKeyNOOASQYNUCDXJG-KHPPLWFESA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol?
The IUPAC name of 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol (CID 101441764) is 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol.
What is the SMILES notation for 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol?
The canonical SMILES for 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol is CCCCC(/C=C\[Si](C)(C)C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol?
The InChIKey is NOOASQYNUCDXJG-KHPPLWFESA-N. The full InChI is InChI=1S/C13H28OSi/c1-7-8-9-12(13(2,3)14)10-11-15(4,5)6/h10-12,14H,7-9H2,1-6H3/b11-10-.
What are the key properties of 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol?
2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol has a molecular weight of 228.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-2-trimethylsilylethenyl]heptan-2-ol is sourced from PubChem (CID 101441764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).