(3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one

C24H42O5Si — CID 10741682

IUPAC(3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one
SMILESC/C(=C\CC[C@@](C)(/C=C/CCO[Si](C)(C)C(C)(C)C)[C@H]1CCOC1=O)C1OCCO1
InChIInChI=1S/C24H42O5Si/c1-19(22-27-17-18-28-22)11-10-14-24(5,20-12-16-26-21(20)25)13-8-9-15-29-30(6,7)23(2,3)4/h8,11,13,20,22H,9-10,12,14-18H2,1-7H3/b13-8+,19-11+/t20-,24+/m0/s1
InChIKeySETMDDCEZVSEQJ-QGTDTTMHSA-N
MW438.68 g/mol
LogP5.62
Rot. Bonds10

About (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one

(3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one (PubChem CID 10741682) has the molecular formula C24H42O5Si and a molecular weight of 438.68 g/mol. Its IUPAC name is (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one
PubChem CID10741682
Molecular FormulaC24H42O5Si
Molecular Weight438.68 g/mol
Exact Mass438.28
IUPAC Name(3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one
SMILESC/C(=C\CC[C@@](C)(/C=C/CCO[Si](C)(C)C(C)(C)C)[C@H]1CCOC1=O)C1OCCO1
InChIInChI=1S/C24H42O5Si/c1-19(22-27-17-18-28-22)11-10-14-24(5,20-12-16-26-21(20)25)13-8-9-15-29-30(6,7)23(2,3)4/h8,11,13,20,22H,9-10,12,14-18H2,1-7H3/b13-8+,19-11+/t20-,24+/m0/s1
InChIKeySETMDDCEZVSEQJ-QGTDTTMHSA-N
XLogP5.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.62
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one with MolForge

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Related Compounds

methyl 2-[(1R,4S,5R)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]acetate
CID 10874099
ethyl (E)-4-[(1R,4S,5R)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]-2-methylbut-2-enoate
CID 15835240
(E,3R,4S)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]-8-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)-4-methylnon-7-en-2-one
CID 10718554

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one (CID 10741682) is (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one is C/C(=C\CC[C@@](C)(/C=C/CCO[Si](C)(C)C(C)(C)C)[C@H]1CCOC1=O)C1OCCO1.
What is the InChIKey of (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one?
The InChIKey is SETMDDCEZVSEQJ-QGTDTTMHSA-N. The full InChI is InChI=1S/C24H42O5Si/c1-19(22-27-17-18-28-22)11-10-14-24(5,20-12-16-26-21(20)25)13-8-9-15-29-30(6,7)23(2,3)4/h8,11,13,20,22H,9-10,12,14-18H2,1-7H3/b13-8+,19-11+/t20-,24+/m0/s1.
What are the key properties of (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one?
(3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one has a molecular weight of 438.68 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3E,5S,8E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)-5-methyldeca-3,8-dien-5-yl]oxolan-2-one is sourced from PubChem (CID 10741682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).