(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol

C17H34O3Si — CID 11130844

IUPAC(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol
SMILESCC1(C)O[C@@H](CC/C(=C/CCO)C[Si](C)(C)C)C(C)(C)O1
InChIInChI=1S/C17H34O3Si/c1-16(2)15(19-17(3,4)20-16)11-10-14(9-8-12-18)13-21(5,6)7/h9,15,18H,8,10-13H2,1-7H3/b14-9-/t15-/m0/s1
InChIKeyPFPDLQOXLXTYLZ-MZLJFPOFSA-N
MW314.54 g/mol
LogP4.34
Rot. Bonds7

About (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol

(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol (PubChem CID 11130844) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol
PubChem CID11130844
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol
SMILESCC1(C)O[C@@H](CC/C(=C/CCO)C[Si](C)(C)C)C(C)(C)O1
InChIInChI=1S/C17H34O3Si/c1-16(2)15(19-17(3,4)20-16)11-10-14(9-8-12-18)13-21(5,6)7/h9,15,18H,8,10-13H2,1-7H3/b14-9-/t15-/m0/s1
InChIKeyPFPDLQOXLXTYLZ-MZLJFPOFSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
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 (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol?
The IUPAC name of (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol (CID 11130844) is (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol.
What is the SMILES notation for (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol?
The canonical SMILES for (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol is CC1(C)O[C@@H](CC/C(=C/CCO)C[Si](C)(C)C)C(C)(C)O1.
What is the InChIKey of (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol?
The InChIKey is PFPDLQOXLXTYLZ-MZLJFPOFSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-16(2)15(19-17(3,4)20-16)11-10-14(9-8-12-18)13-21(5,6)7/h9,15,18H,8,10-13H2,1-7H3/b14-9-/t15-/m0/s1.
What are the key properties of (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol?
(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol has a molecular weight of 314.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol is sourced from PubChem (CID 11130844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).