(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol

C13H26O3Si — CID 101156032

IUPAC(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol
SMILESCOCO[C@H](C#C[Si](C)(C)C)[C@H](O)CC(C)C
InChIInChI=1S/C13H26O3Si/c1-11(2)9-12(14)13(16-10-15-3)7-8-17(4,5)6/h11-14H,9-10H2,1-6H3/t12-,13-/m1/s1
InChIKeyWBKQFWAXEBCSCY-CHWSQXEVSA-N
MW258.43 g/mol
LogP2.26
Rot. Bonds6

About (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol

(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol (PubChem CID 101156032) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol
PubChem CID101156032
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol
SMILESCOCO[C@H](C#C[Si](C)(C)C)[C@H](O)CC(C)C
InChIInChI=1S/C13H26O3Si/c1-11(2)9-12(14)13(16-10-15-3)7-8-17(4,5)6/h11-14H,9-10H2,1-6H3/t12-,13-/m1/s1
InChIKeyWBKQFWAXEBCSCY-CHWSQXEVSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-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

(3R,4S)-4-(methoxymethoxy)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101156045
(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
CID 14084682
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 102281928
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol
CID 166591836
(3R,4R,5S,8S,9S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-bis(methoxymethoxy)-4,8,10-trimethyl-1-trimethylsilylundec-1-yn-3-ol
CID 102356585
(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
CID 130659352
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
(6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one
CID 134859671
methyl (3S)-3-propan-2-yl-5-trimethylsilylpent-4-ynoate
CID 10868013
(E,5R,6S)-6-(methoxymethoxy)-5-methyloct-2-en-7-yn-1-ol
CID 101257482
(3S,4S)-1-trimethylsilylhept-6-en-1-yne-3,4-diol
CID 102124553

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol?
The IUPAC name of (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol (CID 101156032) is (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol.
What is the SMILES notation for (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol?
The canonical SMILES for (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol is COCO[C@H](C#C[Si](C)(C)C)[C@H](O)CC(C)C.
What is the InChIKey of (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol?
The InChIKey is WBKQFWAXEBCSCY-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(2)9-12(14)13(16-10-15-3)7-8-17(4,5)6/h11-14H,9-10H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol?
(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol has a molecular weight of 258.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol is sourced from PubChem (CID 101156032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).