(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol

C16H32O4Si — CID 139252508

IUPAC(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)C/C=C\CCC1OCCO1
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(4,5)20-14(13-17)9-7-6-8-10-15-18-11-12-19-15/h6-7,14-15,17H,8-13H2,1-5H3/b7-6-/t14-/m0/s1
InChIKeyWARCIOPRSLGCGI-AFNCTOJWSA-N
MW316.51 g/mol
LogP3.47
Rot. Bonds8

About (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol

(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol (PubChem CID 139252508) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol.

Molecular Properties

Compound Name(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol
PubChem CID139252508
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)C/C=C\CCC1OCCO1
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(4,5)20-14(13-17)9-7-6-8-10-15-18-11-12-19-15/h6-7,14-15,17H,8-13H2,1-5H3/b7-6-/t14-/m0/s1
InChIKeyWARCIOPRSLGCGI-AFNCTOJWSA-N
XLogP3.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)hex-4-en-1-ol
CID 134863284
(Z,2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 139252506
(2R,3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol
CID 59027009
(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 59100012
(E,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 59100052
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(1,3-dioxolan-2-ylmethyl)-3,6-dihydro-2H-pyran-3-ol
CID 68710889
(1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 91128689
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-prop-1-enyl-1,3-dioxolan-4-yl]ethanol
CID 173467879
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol
CID 10051128
(1E,3R,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol
CID 10459091
(2R,3S,6S)-6-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10471049
(2E,4S,5R,7E)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(methoxymethoxy)nona-2,7-dien-4-ol
CID 10575966

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol?
The IUPAC name of (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol (CID 139252508) is (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol.
What is the SMILES notation for (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol?
The canonical SMILES for (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H](CO)C/C=C\CCC1OCCO1.
What is the InChIKey of (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol?
The InChIKey is WARCIOPRSLGCGI-AFNCTOJWSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-16(2,3)21(4,5)20-14(13-17)9-7-6-8-10-15-18-11-12-19-15/h6-7,14-15,17H,8-13H2,1-5H3/b7-6-/t14-/m0/s1.
What are the key properties of (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol?
(Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol has a molecular weight of 316.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hept-4-en-1-ol is sourced from PubChem (CID 139252508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).