(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol

C19H36O4Si — CID 42631871

IUPAC(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol
SMILESC=C(/C=C/COC1CCCCO1)C[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-16(10-9-13-22-18-11-7-8-12-21-18)14-17(20)15-23-24(5,6)19(2,3)4/h9-10,17-18,20H,1,7-8,11-15H2,2-6H3/b10-9+/t17-,18?/m1/s1
InChIKeyLGMDXIWCJRMDIF-VOAQMLOASA-N
MW356.58 g/mol
LogP4.41
Rot. Bonds9

About (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol

(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol (PubChem CID 42631871) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol
PubChem CID42631871
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol
SMILESC=C(/C=C/COC1CCCCO1)C[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-16(10-9-13-22-18-11-7-8-12-21-18)14-17(20)15-23-24(5,6)19(2,3)4/h9-10,17-18,20H,1,7-8,11-15H2,2-6H3/b10-9+/t17-,18?/m1/s1
InChIKeyLGMDXIWCJRMDIF-VOAQMLOASA-N
XLogP4.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-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

(2E,4E,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-methylundeca-2,4,10-trien-1-ol
CID 46197056
[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 134887217
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]cyclopent-2-en-1-ol
CID 139616241
(2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol
CID 162773773
(2E,4Z)-5-[(2R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol
CID 173978713
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)pent-3-en-2-ol
CID 10479392
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methylbut-2-enoxy)-3,6-dihydro-2H-pyran-3-ol
CID 10640042
(Z)-3-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10788081
(2R,3S,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
CID 11654885
(3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol
CID 25098859
(2R,3R,4E)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3,4-dimethylhepta-4,6-dien-1-ol
CID 44521803
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol
CID 53309485

Frequently Asked Questions

What is the IUPAC name of (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol?
The IUPAC name of (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol (CID 42631871) is (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol.
What is the SMILES notation for (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol?
The canonical SMILES for (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol is C=C(/C=C/COC1CCCCO1)C[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol?
The InChIKey is LGMDXIWCJRMDIF-VOAQMLOASA-N. The full InChI is InChI=1S/C19H36O4Si/c1-16(10-9-13-22-18-11-7-8-12-21-18)14-17(20)15-23-24(5,6)19(2,3)4/h9-10,17-18,20H,1,7-8,11-15H2,2-6H3/b10-9+/t17-,18?/m1/s1.
What are the key properties of (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol?
(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol has a molecular weight of 356.58 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol is sourced from PubChem (CID 42631871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).