(Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol

C37H64O3SSi2 — CID 20636351

IUPAC(Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol
SMILESCC/C(=C/CCC(O)(CC)CC)c1cc(CCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)cs1
InChIInChI=1S/C37H64O3SSi2/c1-14-31(18-17-23-37(38,15-2)16-3)34-25-30(28-41-34)20-19-29-21-22-32(26-39-42(10,11)35(4,5)6)33(24-29)27-40-43(12,13)36(7,8)9/h18,21-22,24-25,28,38H,14-17,19-20,23,26-27H2,1-13H3/b31-18-
InChIKeyJGBYUJBGJUHIST-MNBJERMJSA-N
MW645.16 g/mol
LogP11.70
Rot. Bonds16

About (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol

(Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol (PubChem CID 20636351) has the molecular formula C37H64O3SSi2 and a molecular weight of 645.16 g/mol. Its IUPAC name is (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol.

Molecular Properties

Compound Name(Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol
PubChem CID20636351
Molecular FormulaC37H64O3SSi2
Molecular Weight645.16 g/mol
Exact Mass644.41
IUPAC Name(Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol
SMILESCC/C(=C/CCC(O)(CC)CC)c1cc(CCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)cs1
InChIInChI=1S/C37H64O3SSi2/c1-14-31(18-17-23-37(38,15-2)16-3)34-25-30(28-41-34)20-19-29-21-22-32(26-39-42(10,11)35(4,5)6)33(24-29)27-40-43(12,13)36(7,8)9/h18,21-22,24-25,28,38H,14-17,19-20,23,26-27H2,1-13H3/b31-18-
InChIKeyJGBYUJBGJUHIST-MNBJERMJSA-N
XLogP11.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.16
LogP ≤ 511.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol?
The IUPAC name of (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol (CID 20636351) is (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol.
What is the SMILES notation for (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol?
The canonical SMILES for (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol is CC/C(=C/CCC(O)(CC)CC)c1cc(CCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)cs1.
What is the InChIKey of (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol?
The InChIKey is JGBYUJBGJUHIST-MNBJERMJSA-N. The full InChI is InChI=1S/C37H64O3SSi2/c1-14-31(18-17-23-37(38,15-2)16-3)34-25-30(28-41-34)20-19-29-21-22-32(26-39-42(10,11)35(4,5)6)33(24-29)27-40-43(12,13)36(7,8)9/h18,21-22,24-25,28,38H,14-17,19-20,23,26-27H2,1-13H3/b31-18-.
What are the key properties of (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol?
(Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol has a molecular weight of 645.16 g/mol, XLogP of 11.70, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]-3-ethylnon-6-en-3-ol is sourced from PubChem (CID 20636351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).