4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane

C30H40O3Si — CID 101179874

IUPAC4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane
SMILESC=CCC1(CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](C=C)[C@@H](C=C)O1
InChIInChI=1S/C30H40O3Si/c1-7-22-30(32-27(8-2)28(9-3)33-30)23-16-17-24-31-34(29(4,5)6,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h7-15,18-21,27-28H,1-3,16-17,22-24H2,4-6H3/t27-,28-/m1/s1
InChIKeyNOGYPPIFBNFBRH-VSGBNLITSA-N
MW476.73 g/mol
LogP6.16
Rot. Bonds12

About 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane

4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane (PubChem CID 101179874) has the molecular formula C30H40O3Si and a molecular weight of 476.73 g/mol. Its IUPAC name is 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane
PubChem CID101179874
Molecular FormulaC30H40O3Si
Molecular Weight476.73 g/mol
Exact Mass476.27
IUPAC Name4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane
SMILESC=CCC1(CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](C=C)[C@@H](C=C)O1
InChIInChI=1S/C30H40O3Si/c1-7-22-30(32-27(8-2)28(9-3)33-30)23-16-17-24-31-34(29(4,5)6,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h7-15,18-21,27-28H,1-3,16-17,22-24H2,4-6H3/t27-,28-/m1/s1
InChIKeyNOGYPPIFBNFBRH-VSGBNLITSA-N
XLogP6.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.73
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
CID 134880347
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one
CID 11091100
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958

Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane?
The IUPAC name of 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane (CID 101179874) is 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane is C=CCC1(CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](C=C)[C@@H](C=C)O1.
What is the InChIKey of 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane?
The InChIKey is NOGYPPIFBNFBRH-VSGBNLITSA-N. The full InChI is InChI=1S/C30H40O3Si/c1-7-22-30(32-27(8-2)28(9-3)33-30)23-16-17-24-31-34(29(4,5)6,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h7-15,18-21,27-28H,1-3,16-17,22-24H2,4-6H3/t27-,28-/m1/s1.
What are the key properties of 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane?
4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane has a molecular weight of 476.73 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 101179874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).