(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol

C19H38O4Si — CID 59071257

IUPAC(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-11-12-19(8,20)14(2)16-15(22-18(6,7)23-16)13-21-24(9,10)17(3,4)5/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,16-,19+/m1/s1
InChIKeyIJHOTYMCWFGQPD-OLMMMNRUSA-N
MW358.60 g/mol
LogP4.49
Rot. Bonds7

About (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol

(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol (PubChem CID 59071257) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol
PubChem CID59071257
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-11-12-19(8,20)14(2)16-15(22-18(6,7)23-16)13-21-24(9,10)17(3,4)5/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,16-,19+/m1/s1
InChIKeyIJHOTYMCWFGQPD-OLMMMNRUSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.49
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

(2R,3S,4S,5S,7R,9R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9,10-trimethyl-3-propan-2-yloxy-7-tri(propan-2-yl)silyloxyundec-10-ene-4,5-diol
CID 134971558
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentane-1,4-diol
CID 11014236
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 11038280
(3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]pent-4-en-1-ol
CID 11760912
(1R,2S)-1-[(2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2S)-1-hydroxybut-3-en-2-yl]-2-methyloxolan-2-yl]-2-methylpropane-1,3-diol
CID 57641041
2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304953
(3S,4S)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol
CID 59071247
(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol
CID 59071254
(2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-ol
CID 59071276
(2R,3S)-2-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol
CID 59071283
(3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol
CID 59071296
(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-prop-2-enyloxolan-3-ol
CID 89096983

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol?
The IUPAC name of (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol (CID 59071257) is (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol.
What is the SMILES notation for (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol?
The canonical SMILES for (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol is C=CC[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol?
The InChIKey is IJHOTYMCWFGQPD-OLMMMNRUSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-11-12-19(8,20)14(2)16-15(22-18(6,7)23-16)13-21-24(9,10)17(3,4)5/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,16-,19+/m1/s1.
What are the key properties of (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol?
(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol has a molecular weight of 358.60 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-5-en-3-ol is sourced from PubChem (CID 59071257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).