(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol

C22H38O4Si — CID 15542535

IUPAC(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC#C/C(=C/CO)C1(OC2CCCCO2)CCC1
InChIInChI=1S/C22H38O4Si/c1-21(2,3)27(4,5)25-18-9-6-11-19(13-16-23)22(14-10-15-22)26-20-12-7-8-17-24-20/h13,20,23H,7-10,12,14-18H2,1-5H3/b19-13-
InChIKeyAHUZSCRKKNCSKL-UYRXBGFRSA-N
MW394.63 g/mol
LogP4.79
Rot. Bonds7

About (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol

(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol (PubChem CID 15542535) has the molecular formula C22H38O4Si and a molecular weight of 394.63 g/mol. Its IUPAC name is (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol
PubChem CID15542535
Molecular FormulaC22H38O4Si
Molecular Weight394.63 g/mol
Exact Mass394.25
IUPAC Name(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC#C/C(=C/CO)C1(OC2CCCCO2)CCC1
InChIInChI=1S/C22H38O4Si/c1-21(2,3)27(4,5)25-18-9-6-11-19(13-16-23)22(14-10-15-22)26-20-12-7-8-17-24-20/h13,20,23H,7-10,12,14-18H2,1-5H3/b19-13-
InChIKeyAHUZSCRKKNCSKL-UYRXBGFRSA-N
XLogP4.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.63
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,10-Dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
CID 54357334
(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
CID 70394079
[(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane
CID 10415169
(7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol
CID 10458879
(2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[[1-(oxan-2-yloxy)cyclobutyl]methylidene]hex-3-yn-1-ol
CID 15542536

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol?
The IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol (CID 15542535) is (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol is CC(C)(C)[Si](C)(C)OCCC#C/C(=C/CO)C1(OC2CCCCO2)CCC1.
What is the InChIKey of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol?
The InChIKey is AHUZSCRKKNCSKL-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H38O4Si/c1-21(2,3)27(4,5)25-18-9-6-11-19(13-16-23)22(14-10-15-22)26-20-12-7-8-17-24-20/h13,20,23H,7-10,12,14-18H2,1-5H3/b19-13-.
What are the key properties of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol?
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol has a molecular weight of 394.63 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol is sourced from PubChem (CID 15542535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).