3-methylidene-7-trimethylsilylhept-6-yn-1-ol

C11H20OSi — CID 122395870

IUPAC3-methylidene-7-trimethylsilylhept-6-yn-1-ol
SMILESC=C(CCO)CCC#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-11(8-9-12)7-5-6-10-13(2,3)4/h12H,1,5,7-9H2,2-4H3
InChIKeyNOVQOPZDXDNCEB-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.59
Rot. Bonds4

About 3-methylidene-7-trimethylsilylhept-6-yn-1-ol

3-methylidene-7-trimethylsilylhept-6-yn-1-ol (PubChem CID 122395870) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 3-methylidene-7-trimethylsilylhept-6-yn-1-ol.

Molecular Properties

Compound Name3-methylidene-7-trimethylsilylhept-6-yn-1-ol
PubChem CID122395870
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name3-methylidene-7-trimethylsilylhept-6-yn-1-ol
SMILESC=C(CCO)CCC#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-11(8-9-12)7-5-6-10-13(2,3)4/h12H,1,5,7-9H2,2-4H3
InChIKeyNOVQOPZDXDNCEB-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.59
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(Trimethylsilylmethyl)pent-4-en-1-ol
CID 10975961
2-Methylidene-6-trimethylsilylhex-5-yn-1-ol
CID 11557392
6-Triethylsilylhept-6-en-1-ol
CID 154710012
(2E)-2-(trimethylsilylmethylidene)hexan-1-ol
CID 11819786
5-Methylidene-7-tri(propan-2-yl)silylhept-6-yn-1-ol
CID 102322022
2-Methyl-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 14110518
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylidenehexan-1-ol
CID 58667950
(E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol
CID 88784775
4-Methyl-9-trimethylsilylnon-4-en-8-yn-1-ol
CID 173443515
6-Trimethylsilylhept-6-en-1-ol
CID 10442444
(2R)-2-prop-1-en-2-yl-6-trimethylsilylhex-5-yn-1-ol
CID 10582474
(5E)-5-(trimethylsilylmethylidene)heptan-1-ol
CID 10703228

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-7-trimethylsilylhept-6-yn-1-ol?
The IUPAC name of 3-methylidene-7-trimethylsilylhept-6-yn-1-ol (CID 122395870) is 3-methylidene-7-trimethylsilylhept-6-yn-1-ol.
What is the SMILES notation for 3-methylidene-7-trimethylsilylhept-6-yn-1-ol?
The canonical SMILES for 3-methylidene-7-trimethylsilylhept-6-yn-1-ol is C=C(CCO)CCC#C[Si](C)(C)C.
What is the InChIKey of 3-methylidene-7-trimethylsilylhept-6-yn-1-ol?
The InChIKey is NOVQOPZDXDNCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-11(8-9-12)7-5-6-10-13(2,3)4/h12H,1,5,7-9H2,2-4H3.
What are the key properties of 3-methylidene-7-trimethylsilylhept-6-yn-1-ol?
3-methylidene-7-trimethylsilylhept-6-yn-1-ol has a molecular weight of 196.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-7-trimethylsilylhept-6-yn-1-ol is sourced from PubChem (CID 122395870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).