1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol

C18H34O4Si — CID 23092702

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol
SMILESC=C1CCC(OC2CCCCO2)CC1(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-14-10-11-15(21-16-9-7-8-12-20-16)13-18(14,19)22-23(5,6)17(2,3)4/h15-16,19H,1,7-13H2,2-6H3
InChIKeyZYEFPXNQFWKHKR-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.35
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol

1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol (PubChem CID 23092702) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol
PubChem CID23092702
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol
SMILESC=C1CCC(OC2CCCCO2)CC1(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-14-10-11-15(21-16-9-7-8-12-20-16)13-18(14,19)22-23(5,6)17(2,3)4/h15-16,19H,1,7-13H2,2-6H3
InChIKeyZYEFPXNQFWKHKR-UHFFFAOYSA-N
XLogP4.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol (CID 23092702) is 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol is C=C1CCC(OC2CCCCO2)CC1(O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol?
The InChIKey is ZYEFPXNQFWKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-14-10-11-15(21-16-9-7-8-12-20-16)13-18(14,19)22-23(5,6)17(2,3)4/h15-16,19H,1,7-13H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol?
1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol has a molecular weight of 342.55 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-(oxan-2-yloxy)cyclohexan-1-ol is sourced from PubChem (CID 23092702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).