(4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one

C30H60O4Si2 — CID 134874193

IUPAC(4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one
SMILESCC(C)[Si](OCCCC/C=C1\OC(=O)C1CCCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H60O4Si2/c1-22(2)35(23(3)4,24(5)6)32-20-16-13-14-19-29-28(30(31)34-29)18-15-17-21-33-36(25(7)8,26(9)10)27(11)12/h19,22-28H,13-18,20-21H2,1-12H3/b29-19-
InChIKeyDVCYDAYOSZPHGE-CEUNXORHSA-N
MW540.98 g/mol
LogP9.77
Rot. Bonds18

About (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one

(4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one (PubChem CID 134874193) has the molecular formula C30H60O4Si2 and a molecular weight of 540.98 g/mol. Its IUPAC name is (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one.

Molecular Properties

Compound Name(4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one
PubChem CID134874193
Molecular FormulaC30H60O4Si2
Molecular Weight540.98 g/mol
Exact Mass540.40
IUPAC Name(4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one
SMILESCC(C)[Si](OCCCC/C=C1\OC(=O)C1CCCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H60O4Si2/c1-22(2)35(23(3)4,24(5)6)32-20-16-13-14-19-29-28(30(31)34-29)18-15-17-21-33-36(25(7)8,26(9)10)27(11)12/h19,22-28H,13-18,20-21H2,1-12H3/b29-19-
InChIKeyDVCYDAYOSZPHGE-CEUNXORHSA-N
XLogP9.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.98
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one?
The IUPAC name of (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one (CID 134874193) is (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one.
What is the SMILES notation for (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one?
The canonical SMILES for (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one is CC(C)[Si](OCCCC/C=C1\OC(=O)C1CCCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one?
The InChIKey is DVCYDAYOSZPHGE-CEUNXORHSA-N. The full InChI is InChI=1S/C30H60O4Si2/c1-22(2)35(23(3)4,24(5)6)32-20-16-13-14-19-29-28(30(31)34-29)18-15-17-21-33-36(25(7)8,26(9)10)27(11)12/h19,22-28H,13-18,20-21H2,1-12H3/b29-19-.
What are the key properties of (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one?
(4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one has a molecular weight of 540.98 g/mol, XLogP of 9.77, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one is sourced from PubChem (CID 134874193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).