(4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol

C11H20OSi — CID 25179946

IUPAC(4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol
SMILESC=C(C)C[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-10(2)9-11(12)7-6-8-13(3,4)5/h11-12H,1,7,9H2,2-5H3/t11-/m1/s1
InChIKeyPSWKCMMTOVZEQP-LLVKDONJSA-N
MW196.37 g/mol
LogP2.58
Rot. Bonds3

About (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol

(4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol (PubChem CID 25179946) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol.

Molecular Properties

Compound Name(4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol
PubChem CID25179946
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol
SMILESC=C(C)C[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-10(2)9-11(12)7-6-8-13(3,4)5/h11-12H,1,7,9H2,2-5H3/t11-/m1/s1
InChIKeyPSWKCMMTOVZEQP-LLVKDONJSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.58
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

2-(Trimethylsilylmethyl)hept-1-en-4-ol
CID 10726730
(2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol
CID 10877610
5-(Trimethylsilylmethyl)hepta-5,6-dien-3-ol
CID 85897177
(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
CID 10921159
2,2-Dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
CID 10987643
5-(Trimethylsilylmethyl)hex-5-en-2-ol
CID 11030538
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
6-(Trimethylsilylmethyl)octa-6,7-dien-4-ol
CID 11401599
5-(Trimethylsilylmethyl)hex-5-en-3-ol
CID 12930293
(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol
CID 44550535
4-(Trimethylsilylmethyl)hexa-4,5-dien-2-ol
CID 85779805
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol?
The IUPAC name of (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol (CID 25179946) is (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol.
What is the SMILES notation for (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol?
The canonical SMILES for (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol is C=C(C)C[C@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol?
The InChIKey is PSWKCMMTOVZEQP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20OSi/c1-10(2)9-11(12)7-6-8-13(3,4)5/h11-12H,1,7,9H2,2-5H3/t11-/m1/s1.
What are the key properties of (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol?
(4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol has a molecular weight of 196.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-7-trimethylsilylhept-1-en-6-yn-4-ol is sourced from PubChem (CID 25179946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).