(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol

C14H30O3Si — CID 25170041

IUPAC(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol
SMILESCOCO[C@H]([C@@H](C)/C=C(/C)[Si](C)(C)C)[C@@H](C)CO
InChIInChI=1S/C14H30O3Si/c1-11(8-13(3)18(5,6)7)14(12(2)9-15)17-10-16-4/h8,11-12,14-15H,9-10H2,1-7H3/b13-8-/t11-,12-,14+/m0/s1
InChIKeyVBWWTSVUUSNZHL-LKBWDGANSA-N
MW274.48 g/mol
LogP3.06
Rot. Bonds8

About (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol

(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol (PubChem CID 25170041) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol.

Molecular Properties

Compound Name(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol
PubChem CID25170041
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol
SMILESCOCO[C@H]([C@@H](C)/C=C(/C)[Si](C)(C)C)[C@@H](C)CO
InChIInChI=1S/C14H30O3Si/c1-11(8-13(3)18(5,6)7)14(12(2)9-15)17-10-16-4/h8,11-12,14-15H,9-10H2,1-7H3/b13-8-/t11-,12-,14+/m0/s1
InChIKeyVBWWTSVUUSNZHL-LKBWDGANSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.06
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol?
The IUPAC name of (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol (CID 25170041) is (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol.
What is the SMILES notation for (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol?
The canonical SMILES for (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol is COCO[C@H]([C@@H](C)/C=C(/C)[Si](C)(C)C)[C@@H](C)CO.
What is the InChIKey of (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol?
The InChIKey is VBWWTSVUUSNZHL-LKBWDGANSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-11(8-13(3)18(5,6)7)14(12(2)9-15)17-10-16-4/h8,11-12,14-15H,9-10H2,1-7H3/b13-8-/t11-,12-,14+/m0/s1.
What are the key properties of (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol?
(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol has a molecular weight of 274.48 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol is sourced from PubChem (CID 25170041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).