(4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one

C44H62O4Si2 — CID 11017979

IUPAC(4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one
SMILESC=CC[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)C/C=C/Cc2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2C(=O)O1
InChIInChI=1S/C44H62O4Si2/c1-12-22-37-31-41(48-50(44(9,10)11,38-26-15-13-16-27-38)39-28-17-14-18-29-39)35(8)23-19-20-24-36-25-21-30-40(42(36)43(45)46-37)47-49(32(2)3,33(4)5)34(6)7/h12-21,25-30,32-35,37,41H,1,22-24,31H2,2-11H3/b20-19+/t35-,37-,41+/m0/s1
InChIKeyJHZQLJWZTGWQPT-RKOJBCPOSA-N
MW711.15 g/mol
LogP10.82
Rot. Bonds11

About (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one

(4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one (PubChem CID 11017979) has the molecular formula C44H62O4Si2 and a molecular weight of 711.15 g/mol. Its IUPAC name is (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one.

Molecular Properties

Compound Name(4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one
PubChem CID11017979
Molecular FormulaC44H62O4Si2
Molecular Weight711.15 g/mol
Exact Mass710.42
IUPAC Name(4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one
SMILESC=CC[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)C/C=C/Cc2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2C(=O)O1
InChIInChI=1S/C44H62O4Si2/c1-12-22-37-31-41(48-50(44(9,10)11,38-26-15-13-16-27-38)39-28-17-14-18-29-39)35(8)23-19-20-24-36-25-21-30-40(42(36)43(45)46-37)47-49(32(2)3,33(4)5)34(6)7/h12-21,25-30,32-35,37,41H,1,22-24,31H2,2-11H3/b20-19+/t35-,37-,41+/m0/s1
InChIKeyJHZQLJWZTGWQPT-RKOJBCPOSA-N
XLogP10.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.15
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one with MolForge

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Related Compounds

3-[(4R,6S,7R,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-2-oxo-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]propanal
CID 11239556
(2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide
CID 11422592
(1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
CID 101116086
[1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate
CID 57109599
(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
CID 11180922
prop-2-enyl (E)-4-[(4S,6R,7S,9E)-6,7,16-trimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraen-4-yl]but-2-enoate
CID 59093298
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
(E)-4-[(9E)-16-methoxy-6-(methoxymethoxy)-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]but-2-enoyl azide
CID 89257973
(1S,2R,3S,4aR,5S,8S,8aS)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 46198132
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994

Frequently Asked Questions

What is the IUPAC name of (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one?
The IUPAC name of (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one (CID 11017979) is (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one.
What is the SMILES notation for (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one?
The canonical SMILES for (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one is C=CC[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)C/C=C/Cc2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2C(=O)O1.
What is the InChIKey of (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one?
The InChIKey is JHZQLJWZTGWQPT-RKOJBCPOSA-N. The full InChI is InChI=1S/C44H62O4Si2/c1-12-22-37-31-41(48-50(44(9,10)11,38-26-15-13-16-27-38)39-28-17-14-18-29-39)35(8)23-19-20-24-36-25-21-30-40(42(36)43(45)46-37)47-49(32(2)3,33(4)5)34(6)7/h12-21,25-30,32-35,37,41H,1,22-24,31H2,2-11H3/b20-19+/t35-,37-,41+/m0/s1.
What are the key properties of (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one?
(4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one has a molecular weight of 711.15 g/mol, XLogP of 10.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R,7S,9E)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-4-prop-2-enyl-16-tri(propan-2-yl)silyloxy-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one is sourced from PubChem (CID 11017979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).