[(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane

C42H80O6Si2 — CID 11700500

IUPAC[(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane
SMILESC=CC[C@@H](C[C@@H](C[C@@H](O[Si](C)(C)C)[C@@H](C)CC[C@H](C=C)O[C@@H](C=C)CC=C)OCOC)O[C@H](C=C)C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C42H80O6Si2/c1-19-24-36(21-3)46-37(22-4)27-26-35(12)40(48-49(16,17)18)29-39(44-31-43-15)28-38(25-20-2)47-41(23-5)42(13,14)30-45-50(32(6)7,33(8)9)34(10)11/h19-23,32-41H,1-5,24-31H2,6-18H3/t35-,36-,37-,38-,39-,40+,41+/m0/s1
InChIKeyFDMQKJLMFPICCC-FUVQYTPJSA-N
MW737.27 g/mol
LogP11.83
Rot. Bonds31

About [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane

[(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane (PubChem CID 11700500) has the molecular formula C42H80O6Si2 and a molecular weight of 737.27 g/mol. Its IUPAC name is [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane
PubChem CID11700500
Molecular FormulaC42H80O6Si2
Molecular Weight737.27 g/mol
Exact Mass736.55
IUPAC Name[(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane
SMILESC=CC[C@@H](C[C@@H](C[C@@H](O[Si](C)(C)C)[C@@H](C)CC[C@H](C=C)O[C@@H](C=C)CC=C)OCOC)O[C@H](C=C)C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C42H80O6Si2/c1-19-24-36(21-3)46-37(22-4)27-26-35(12)40(48-49(16,17)18)29-39(44-31-43-15)28-38(25-20-2)47-41(23-5)42(13,14)30-45-50(32(6)7,33(8)9)34(10)11/h19-23,32-41H,1-5,24-31H2,6-18H3/t35-,36-,37-,38-,39-,40+,41+/m0/s1
InChIKeyFDMQKJLMFPICCC-FUVQYTPJSA-N
XLogP11.83
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.27
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxyhex-5-enal
CID 11501836
[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 56946984
tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane
CID 10623941
4-(methoxymethoxy)non-1-ene
CID 14592865
(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene
CID 46844562
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 132582442
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride
CID 174646215
tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane
CID 24938591
tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane
CID 24938592
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047

Frequently Asked Questions

What is the IUPAC name of [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane (CID 11700500) is [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane is C=CC[C@@H](C[C@@H](C[C@@H](O[Si](C)(C)C)[C@@H](C)CC[C@H](C=C)O[C@@H](C=C)CC=C)OCOC)O[C@H](C=C)C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane?
The InChIKey is FDMQKJLMFPICCC-FUVQYTPJSA-N. The full InChI is InChI=1S/C42H80O6Si2/c1-19-24-36(21-3)46-37(22-4)27-26-35(12)40(48-49(16,17)18)29-39(44-31-43-15)28-38(25-20-2)47-41(23-5)42(13,14)30-45-50(32(6)7,33(8)9)34(10)11/h19-23,32-41H,1-5,24-31H2,6-18H3/t35-,36-,37-,38-,39-,40+,41+/m0/s1.
What are the key properties of [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane?
[(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane has a molecular weight of 737.27 g/mol, XLogP of 11.83, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane is sourced from PubChem (CID 11700500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).