(5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol

C19H38O4Si — CID 24864792

IUPAC(5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol
SMILESC=CCC[C@H](OCOC)[C@H](O)/C=C/C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-9-10-14-18(22-15-21-6)17(20)13-11-12-16(2)23-24(7,8)19(3,4)5/h9,11,13,16-18,20H,1,10,12,14-15H2,2-8H3/b13-11+/t16-,17+,18-/m0/s1
InChIKeyNEWOOWBOKZFJEW-RNPYQATCSA-N
MW358.60 g/mol
LogP4.66
Rot. Bonds12

About (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol

(5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol (PubChem CID 24864792) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol.

Molecular Properties

Compound Name(5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol
PubChem CID24864792
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol
SMILESC=CCC[C@H](OCOC)[C@H](O)/C=C/C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-9-10-14-18(22-15-21-6)17(20)13-11-12-16(2)23-24(7,8)19(3,4)5/h9,11,13,16-18,20H,1,10,12,14-15H2,2-8H3/b13-11+/t16-,17+,18-/m0/s1
InChIKeyNEWOOWBOKZFJEW-RNPYQATCSA-N
XLogP4.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.66
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 (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol?
The IUPAC name of (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol (CID 24864792) is (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol.
What is the SMILES notation for (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol?
The canonical SMILES for (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol is C=CCC[C@H](OCOC)[C@H](O)/C=C/C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol?
The InChIKey is NEWOOWBOKZFJEW-RNPYQATCSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-9-10-14-18(22-15-21-6)17(20)13-11-12-16(2)23-24(7,8)19(3,4)5/h9,11,13,16-18,20H,1,10,12,14-15H2,2-8H3/b13-11+/t16-,17+,18-/m0/s1.
What are the key properties of (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol?
(5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol has a molecular weight of 358.60 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7E,10S)-10-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undeca-1,7-dien-6-ol is sourced from PubChem (CID 24864792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).