[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane

C23H46O3Si — CID 11304093

IUPAC[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
SMILESC=CCC[C@@H](C)C1(CC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OCCO1
InChIInChI=1S/C23H46O3Si/c1-10-11-12-22(9)23(24-15-16-25-23)14-13-21(8)17-26-27(18(2)3,19(4)5)20(6)7/h10,18-22H,1,11-17H2,2-9H3/t21-,22+/m0/s1
InChIKeyNJJRJOWGXSELGD-FCHUYYIVSA-N
MW398.70 g/mol
LogP6.94
Rot. Bonds13

About [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane

[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane (PubChem CID 11304093) has the molecular formula C23H46O3Si and a molecular weight of 398.70 g/mol. Its IUPAC name is [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
PubChem CID11304093
Molecular FormulaC23H46O3Si
Molecular Weight398.70 g/mol
Exact Mass398.32
IUPAC Name[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
SMILESC=CCC[C@@H](C)C1(CC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OCCO1
InChIInChI=1S/C23H46O3Si/c1-10-11-12-22(9)23(24-15-16-25-23)14-13-21(8)17-26-27(18(2)3,19(4)5)20(6)7/h10,18-22H,1,11-17H2,2-9H3/t21-,22+/m0/s1
InChIKeyNJJRJOWGXSELGD-FCHUYYIVSA-N
XLogP6.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane (CID 11304093) is [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane is C=CCC[C@@H](C)C1(CC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OCCO1.
What is the InChIKey of [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane?
The InChIKey is NJJRJOWGXSELGD-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H46O3Si/c1-10-11-12-22(9)23(24-15-16-25-23)14-13-21(8)17-26-27(18(2)3,19(4)5)20(6)7/h10,18-22H,1,11-17H2,2-9H3/t21-,22+/m0/s1.
What are the key properties of [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane?
[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane has a molecular weight of 398.70 g/mol, XLogP of 6.94, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11304093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).