(3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one

C17H30O4Si — CID 134973767

IUPAC(3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one
SMILESC/C=C/C=C(/C(O)CC[C@]1(C)OC(=O)[C@H](C)[C@H]1O)[Si](C)(C)C
InChIInChI=1S/C17H30O4Si/c1-7-8-9-14(22(4,5)6)13(18)10-11-17(3)15(19)12(2)16(20)21-17/h7-9,12-13,15,18-19H,10-11H2,1-6H3/b8-7+,14-9-/t12-,13?,15-,17+/m1/s1
InChIKeyLVTLCWDPYMDHBO-ANNFUVBFSA-N
MW326.51 g/mol
LogP2.82
Rot. Bonds6

About (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one

(3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one (PubChem CID 134973767) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one
PubChem CID134973767
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name(3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one
SMILESC/C=C/C=C(/C(O)CC[C@]1(C)OC(=O)[C@H](C)[C@H]1O)[Si](C)(C)C
InChIInChI=1S/C17H30O4Si/c1-7-8-9-14(22(4,5)6)13(18)10-11-17(3)15(19)12(2)16(20)21-17/h7-9,12-13,15,18-19H,10-11H2,1-6H3/b8-7+,14-9-/t12-,13?,15-,17+/m1/s1
InChIKeyLVTLCWDPYMDHBO-ANNFUVBFSA-N
XLogP2.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(9Z)-4-[tert-butyl(dimethyl)silyl]oxy-12-[(2E,4E)-7-[3-[3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,8-dihydroxy-7,11-dimethyl-1-oxacyclododec-9-en-2-one
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(4R,7R,8S,9E,11S,12S)-4-[tert-butyl(dimethyl)silyl]oxy-12-[(2E,4E,6S)-7-[(2S,3R)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,8-dihydroxy-7,11-dimethyl-1-oxacyclododec-9-en-2-one
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(4R,7R,8S,9E,11S,12S)-4-[tert-butyl(dimethyl)silyl]oxy-12-[(2E,4E,6S)-7-[(2S,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,8-dihydroxy-7,11-dimethyl-1-oxacyclododec-9-en-2-one
CID 59516402

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one?
The IUPAC name of (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one (CID 134973767) is (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one?
The canonical SMILES for (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one is C/C=C/C=C(/C(O)CC[C@]1(C)OC(=O)[C@H](C)[C@H]1O)[Si](C)(C)C.
What is the InChIKey of (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one?
The InChIKey is LVTLCWDPYMDHBO-ANNFUVBFSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-8-9-14(22(4,5)6)13(18)10-11-17(3)15(19)12(2)16(20)21-17/h7-9,12-13,15,18-19H,10-11H2,1-6H3/b8-7+,14-9-/t12-,13?,15-,17+/m1/s1.
What are the key properties of (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one?
(3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one has a molecular weight of 326.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 134973767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).