methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate

C14H24O3Si — CID 11054685

IUPACmethyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate
SMILESC=CC[C@@H](C)C[C@H](C#CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C14H24O3Si/c1-7-8-12(2)11-13(17-18(4,5)6)9-10-14(15)16-3/h7,12-13H,1,8,11H2,2-6H3/t12-,13+/m1/s1
InChIKeyNESJSPLSKHMFDB-OLZOCXBDSA-N
MW268.43 g/mol
LogP2.99
Rot. Bonds6

About methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate

methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate (PubChem CID 11054685) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate.

Molecular Properties

Compound Namemethyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate
PubChem CID11054685
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Namemethyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate
SMILESC=CC[C@@H](C)C[C@H](C#CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C14H24O3Si/c1-7-8-12(2)11-13(17-18(4,5)6)9-10-14(15)16-3/h7,12-13H,1,8,11H2,2-6H3/t12-,13+/m1/s1
InChIKeyNESJSPLSKHMFDB-OLZOCXBDSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate 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

methyl 4-methylhept-6-en-2-ynoate
CID 175580126
methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate
CID 10321157
methyl (4S)-4-hydroxy-6-methylhept-2-ynoate
CID 101477375
methyl 4-hydroxypent-2-ynoate
CID 10396859
methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate
CID 162875095
methyl (6S)-4-[(E)-3-methoxy-3-oxoprop-1-enoxy]-6,10-dimethylundec-9-en-2-ynoate
CID 46887315
methyl 2-methoxy-4-methyl-3-oxohept-6-enoate
CID 15642452
methyl 4,8-dimethylnon-7-en-2-ynoate
CID 121008774
methyl (4S)-4-[(2R)-2-acetyloxy-2-phenylacetyl]oxyoct-7-en-2-ynoate
CID 44551188
2,4-dimethylhept-6-enal
CID 14532516
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397
methyl 4-methyl-3-oxohept-6-enoate
CID 14289171

Frequently Asked Questions

What is the IUPAC name of methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate?
The IUPAC name of methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate (CID 11054685) is methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate.
What is the SMILES notation for methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate?
The canonical SMILES for methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate is C=CC[C@@H](C)C[C@H](C#CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate?
The InChIKey is NESJSPLSKHMFDB-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-7-8-12(2)11-13(17-18(4,5)6)9-10-14(15)16-3/h7,12-13H,1,8,11H2,2-6H3/t12-,13+/m1/s1.
What are the key properties of methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate?
methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate has a molecular weight of 268.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate is sourced from PubChem (CID 11054685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).