(2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol

C18H36O5Si — CID 11187548

IUPAC(2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol
SMILESC=C[C@@H](OCOCCOC)[C@](C)(/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si/c1-9-16(22-15-21-14-13-20-6)18(5,11-10-12-19)23-24(7,8)17(2,3)4/h9-11,16,19H,1,12-15H2,2-8H3/b11-10+/t16-,18+/m1/s1
InChIKeyJVFVKEVRWVCYNA-LELNBSJKSA-N
MW360.57 g/mol
LogP3.51
Rot. Bonds12

About (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol

(2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol (PubChem CID 11187548) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol
PubChem CID11187548
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name(2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol
SMILESC=C[C@@H](OCOCCOC)[C@](C)(/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si/c1-9-16(22-15-21-14-13-20-6)18(5,11-10-12-19)23-24(7,8)17(2,3)4/h9-11,16,19H,1,12-15H2,2-8H3/b11-10+/t16-,18+/m1/s1
InChIKeyJVFVKEVRWVCYNA-LELNBSJKSA-N
XLogP3.51
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-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

(4R,5S,E)-5-((tert-Butyldimethylsilyl)oxy)-4-((2-methoxyethoxy)methoxy)hex-2-enoic acid
CID 11002564
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(2E,4E,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-methylundeca-2,4,10-trien-1-ol
CID 46197056
(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
CID 134842571
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
(4R,5E,7S)-7-(methoxymethoxy)-7-methyl-8-tri(propan-2-yl)silyloxyocta-1,5-dien-4-ol
CID 134939182
(2Z,5R,6E,8R)-5-hydroxy-8-(methoxymethoxy)-8-methyl-9-tri(propan-2-yl)silyloxynona-2,6-dienenitrile
CID 134947469
(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol
CID 11119829
(2E,4R,5R,6E,8S,9S,10E)-8,9,12-tris[[tert-butyl(dimethyl)silyl]oxy]-4-(methoxymethoxy)dodeca-2,6,10-trien-5-ol
CID 10394255
(1E,3R,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol
CID 10459091
(2R,3S,6S)-6-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10471049
(2E,4S,5S,6E,8S,9S,10E)-8,9,12-tris[[tert-butyl(dimethyl)silyl]oxy]-4-(methoxymethoxy)dodeca-2,6,10-trien-5-ol
CID 10484147

Frequently Asked Questions

What is the IUPAC name of (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol?
The IUPAC name of (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol (CID 11187548) is (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol.
What is the SMILES notation for (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol?
The canonical SMILES for (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol is C=C[C@@H](OCOCCOC)[C@](C)(/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol?
The InChIKey is JVFVKEVRWVCYNA-LELNBSJKSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-9-16(22-15-21-14-13-20-6)18(5,11-10-12-19)23-24(7,8)17(2,3)4/h9-11,16,19H,1,12-15H2,2-8H3/b11-10+/t16-,18+/m1/s1.
What are the key properties of (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol?
(2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol has a molecular weight of 360.57 g/mol, XLogP of 3.51, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-4-methylhepta-2,6-dien-1-ol is sourced from PubChem (CID 11187548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).